Readata.ipynb

{
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>ES3</th>\n",
       "      <th>ES5</th>\n",
       "      <th>EW-11</th>\n",
       "      <th>NCI-H1395</th>\n",
       "      <th>NCI-H1770</th>\n",
       "      <th>DMS-114</th>\n",
       "      <th>NCI-H1092</th>\n",
       "      <th>NCI-H2141</th>\n",
       "      <th>NCI-H345</th>\n",
       "      <th>NCI-H446</th>\n",
       "      <th>...</th>\n",
       "      <th>D-502MG</th>\n",
       "      <th>EW-3</th>\n",
       "      <th>EW-1</th>\n",
       "      <th>EW-18</th>\n",
       "      <th>EW-24</th>\n",
       "      <th>LAN-6</th>\n",
       "      <th>NB10</th>\n",
       "      <th>NB6</th>\n",
       "      <th>NB5</th>\n",
       "      <th>NB14</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>drug_id</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
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       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
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       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
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       "    <tr>\n",
       "      <th>176870</th>\n",
       "      <td>5.457453</td>\n",
       "      <td>6.177945</td>\n",
       "      <td>3.954488</td>\n",
       "      <td>5.429563</td>\n",
       "      <td>6.239001</td>\n",
       "      <td>6.439408</td>\n",
       "      <td>5.322913</td>\n",
       "      <td>5.481543</td>\n",
       "      <td>5.701747</td>\n",
       "      <td>5.829406</td>\n",
       "      <td>...</td>\n",
       "      <td>2.853407</td>\n",
       "      <td>4.907507</td>\n",
       "      <td>3.862042</td>\n",
       "      <td>6.281844</td>\n",
       "      <td>-0.520144</td>\n",
       "      <td>5.284207</td>\n",
       "      <td>2.464594</td>\n",
       "      <td>3.128087</td>\n",
       "      <td>2.331174</td>\n",
       "      <td>5.788405</td>\n",
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       "    <tr>\n",
       "      <th>5284616</th>\n",
       "      <td>2.712723</td>\n",
       "      <td>2.713280</td>\n",
       "      <td>0.083814</td>\n",
       "      <td>0.926814</td>\n",
       "      <td>2.125850</td>\n",
       "      <td>-1.892659</td>\n",
       "      <td>1.661186</td>\n",
       "      <td>1.155157</td>\n",
       "      <td>-0.058457</td>\n",
       "      <td>0.278546</td>\n",
       "      <td>...</td>\n",
       "      <td>1.145465</td>\n",
       "      <td>2.363574</td>\n",
       "      <td>-6.132267</td>\n",
       "      <td>1.956273</td>\n",
       "      <td>2.170812</td>\n",
       "      <td>2.116257</td>\n",
       "      <td>0.382757</td>\n",
       "      <td>1.157696</td>\n",
       "      <td>5.900698</td>\n",
       "      <td>1.412155</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5329102</th>\n",
       "      <td>3.624351</td>\n",
       "      <td>3.208216</td>\n",
       "      <td>3.540163</td>\n",
       "      <td>6.187608</td>\n",
       "      <td>2.676693</td>\n",
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       "      <td>5.835351</td>\n",
       "      <td>3.639802</td>\n",
       "      <td>5.687395</td>\n",
       "      <td>3.313991</td>\n",
       "      <td>...</td>\n",
       "      <td>6.892013</td>\n",
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       "      <td>4.390978</td>\n",
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       "    <tr>\n",
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       "      <td>2.671871</td>\n",
       "      <td>5.191223</td>\n",
       "      <td>2.379769</td>\n",
       "      <td>4.042987</td>\n",
       "      <td>5.904581</td>\n",
       "      <td>5.305583</td>\n",
       "      <td>4.700236</td>\n",
       "      <td>6.133696</td>\n",
       "      <td>6.221338</td>\n",
       "      <td>...</td>\n",
       "      <td>4.200647</td>\n",
       "      <td>4.961017</td>\n",
       "      <td>6.038975</td>\n",
       "      <td>3.709424</td>\n",
       "      <td>5.878941</td>\n",
       "      <td>5.791552</td>\n",
       "      <td>6.379263</td>\n",
       "      <td>5.592871</td>\n",
       "      <td>6.070821</td>\n",
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       "      <td>3.047581</td>\n",
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       "      <td>...</td>\n",
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       "      <td>4.253437</td>\n",
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       "<p>5 rows × 124 columns</p>\n",
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      "text/plain": [
       "               ES3       ES5     EW-11  NCI-H1395  NCI-H1770   DMS-114  \\\n",
       "drug_id                                                                  \n",
       "176870    5.457453  6.177945  3.954488   5.429563   6.239001  6.439408   \n",
       "5284616   2.712723  2.713280  0.083814   0.926814   2.125850 -1.892659   \n",
       "5329102   3.624351  3.208216  3.540163   6.187608   2.676693  4.345598   \n",
       "10461815  5.741999  2.671871  5.191223   2.379769   4.042987  5.904581   \n",
       "462382    1.465161  1.482183  2.443964   4.074435   5.051646  0.368378   \n",
       "\n",
       "          NCI-H1092  NCI-H2141  NCI-H345  NCI-H446    ...      D-502MG  \\\n",
       "drug_id                                               ...                \n",
       "176870     5.322913   5.481543  5.701747  5.829406    ...     2.853407   \n",
       "5284616    1.661186   1.155157 -0.058457  0.278546    ...     1.145465   \n",
       "5329102    5.835351   3.639802  5.687395  3.313991    ...     6.892013   \n",
       "10461815   5.305583   4.700236  6.133696  6.221338    ...     4.200647   \n",
       "462382    -0.945622   0.514722  3.047581  4.602755    ...     0.514084   \n",
       "\n",
       "              EW-3      EW-1     EW-18     EW-24     LAN-6      NB10  \\\n",
       "drug_id                                                                \n",
       "176870    4.907507  3.862042  6.281844 -0.520144  5.284207  2.464594   \n",
       "5284616   2.363574 -6.132267  1.956273  2.170812  2.116257  0.382757   \n",
       "5329102   1.861296  1.543108  7.450205  6.305561  2.656457  7.379108   \n",
       "10461815  4.961017  6.038975  3.709424  5.878941  5.791552  6.379263   \n",
       "462382    4.552909 -1.558431  0.704762  3.476532 -1.161549  2.078887   \n",
       "\n",
       "               NB6       NB5      NB14  \n",
       "drug_id                                 \n",
       "176870    3.128087  2.331174  5.788405  \n",
       "5284616   1.157696  5.900698  1.412155  \n",
       "5329102   4.617955  4.390978  2.391296  \n",
       "10461815  5.592871  6.070821  2.972592  \n",
       "462382    3.432384  4.253437  4.990988  \n",
       "\n",
       "[5 rows x 124 columns]"
      ]
     },
     "execution_count": 1,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "import pandas as pd\n",
    "\n",
    "# Import pandas as pd\n",
    "filename_labels = 'Data/Labels.txt'\n",
    "file_cell_line_name = \"Data/Cell_line_IDs.txt\"\n",
    "file_drug_name = \"Data/Drug_PubChem_IDs.txt\"\n",
    "file_drug_information = 'Data/drug_features_pubchem_id.csv'\n",
    "file_cell_line_information = 'Data/cell_line_features_cell_line_ids.csv'\n",
    "\n",
    "# Read Cell Line Names into list\n",
    "with open(file_cell_line_name) as f:\n",
    "    cell_line_names = [line.strip() for line in f]\n",
    "\n",
    "# Read Drug Names into list\n",
    "with open(file_drug_name) as f:\n",
    "    drug_names = [line.strip() for line in f]\n",
    "\n",
    "\n",
    "data = pd.read_csv(filename_labels, sep = \"\\t\", header=None, names=cell_line_names)\n",
    "data[\"drug_id\"] = drug_names\n",
    "data.set_index(\"drug_id\", inplace=True)\n",
    "data.shape\n",
    "# Print out\n",
    "data.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "cell_lines = []\n",
    "drug_ids = []\n",
    "ic50s = []\n",
    "\n",
    "data.index\n",
    "data.columns\n",
    "\n",
    "for row in data.index: # iterate over rows\n",
    "    for column in data.columns:\n",
    "        cell_lines.append(column)\n",
    "        drug_ids.append(row)\n",
    "        ic50s.append(data[column][row])\n",
    "\n",
    "\n",
    "d = {\"cell_line\": cell_lines, \"drug_id\": drug_ids, \"IC50\": ic50s}\n",
    "df = pd.DataFrame(data=d)\n",
    "#df.set_index([\"cell_line\", \"drug_id\"], inplace=True)"
   ]
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  {
   "cell_type": "code",
   "execution_count": 3,
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       "      <th></th>\n",
       "      <th>IC50</th>\n",
       "      <th>cell_line</th>\n",
       "      <th>drug_id</th>\n",
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       "      <th>0</th>\n",
       "      <td>5.457453</td>\n",
       "      <td>ES3</td>\n",
       "      <td>176870</td>\n",
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       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>6.177945</td>\n",
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       "      <th>2</th>\n",
       "      <td>3.954488</td>\n",
       "      <td>EW-11</td>\n",
       "      <td>176870</td>\n",
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       "      <th>3</th>\n",
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       "      <td>NCI-H1395</td>\n",
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       "      <th>4</th>\n",
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      "text/plain": [
       "       IC50  cell_line drug_id\n",
       "0  5.457453        ES3  176870\n",
       "1  6.177945        ES5  176870\n",
       "2  3.954488      EW-11  176870\n",
       "3  5.429563  NCI-H1395  176870\n",
       "4  6.239001  NCI-H1770  176870"
      ]
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   "source": [
    "df.head()"
   ]
  },
  {
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   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
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      "12037920\n",
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       "      <th>176870</th>\n",
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       "      <td>False</td>\n",
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       "      <td>True</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>43</td>\n",
       "      <td>48</td>\n",
       "      <td>CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>462382</th>\n",
       "      <td>True</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
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       "      <td>False</td>\n",
       "      <td>...</td>\n",
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       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>False</td>\n",
       "      <td>34</td>\n",
       "      <td>34</td>\n",
       "      <td>CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=...</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>5 rows × 12134 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "            binary_is_connected  finger_standard_1  finger_standard_2  \\\n",
       "pubchem_id                                                              \n",
       "176870                     True              False               True   \n",
       "5284616                    True              False              False   \n",
       "5329102                    True              False              False   \n",
       "10461815                   True              False              False   \n",
       "462382                     True              False              False   \n",
       "\n",
       "            finger_standard_3  finger_standard_4  finger_standard_5  \\\n",
       "pubchem_id                                                            \n",
       "176870                  False              False              False   \n",
       "5284616                 False               True              False   \n",
       "5329102                 False              False              False   \n",
       "10461815                False              False              False   \n",
       "462382                  False              False              False   \n",
       "\n",
       "            finger_standard_6  finger_standard_7  finger_standard_8  \\\n",
       "pubchem_id                                                            \n",
       "176870                  False               True              False   \n",
       "5284616                  True              False              False   \n",
       "5329102                 False              False              False   \n",
       "10461815                 True              False              False   \n",
       "462382                  False              False              False   \n",
       "\n",
       "            finger_standard_9  \\\n",
       "pubchem_id                      \n",
       "176870                  False   \n",
       "5284616                 False   \n",
       "5329102                 False   \n",
       "10461815                False   \n",
       "462382                  False   \n",
       "\n",
       "                                  ...                          \\\n",
       "pubchem_id                        ...                           \n",
       "176870                            ...                           \n",
       "5284616                           ...                           \n",
       "5329102                           ...                           \n",
       "10461815                          ...                           \n",
       "462382                            ...                           \n",
       "\n",
       "            finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "pubchem_id                                                                     \n",
       "176870                     False                 False                 False   \n",
       "5284616                    False                 False                 False   \n",
       "5329102                    False                 False                 False   \n",
       "10461815                   False                 False                 False   \n",
       "462382                     False                 False                 False   \n",
       "\n",
       "            finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "pubchem_id                                                                     \n",
       "176870                     False                 False                 False   \n",
       "5284616                    False                 False                 False   \n",
       "5329102                    False                 False                 False   \n",
       "10461815                   False                  True                 False   \n",
       "462382                     False                 False                 False   \n",
       "\n",
       "            finger_circular_1024  real_num_atoms  real_num_bonds  \\\n",
       "pubchem_id                                                         \n",
       "176870                     False              29              31   \n",
       "5284616                     True              65              68   \n",
       "5329102                    False              29              31   \n",
       "10461815                   False              43              48   \n",
       "462382                     False              34              34   \n",
       "\n",
       "                                                        smile  \n",
       "pubchem_id                                                     \n",
       "176870      COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C...  \n",
       "5284616     CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C...  \n",
       "5329102     CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)...  \n",
       "10461815    CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=...  \n",
       "462382      CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=...  \n",
       "\n",
       "[5 rows x 12134 columns]"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "import numpy as np\n",
    "drug_df = pd.read_csv(file_drug_information)\n",
    "drug_df.drop(['Unnamed: 0', 'Unnamed: 0.1'], axis=1,inplace=True)\n",
    "drug_df.set_index(\"pubchem_id\", inplace=True)\n",
    "print(drug_df.memory_usage(index=True).sum())\n",
    "for column in drug_df.columns:\n",
    "    if set(drug_df[column]).issubset({0, 1}):\n",
    "        drug_df[column] = drug_df[column].astype(np.bool)\n",
    "print(drug_df.memory_usage(index=True).sum())\n",
    "drug_df = drug_df.to_sparse(fill_value=False)\n",
    "print(drug_df.memory_usage(index=True).sum())\n",
    "drug_df.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.10869417844818878"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drug_df.density"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
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     "name": "stdout",
     "output_type": "stream",
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       "    <tr>\n",
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       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>3</td>\n",
       "      <td>3</td>\n",
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       "      <td>3</td>\n",
       "      <td>3</td>\n",
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       "      <td>3</td>\n",
       "      <td>8</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>EW-11</th>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>3</td>\n",
       "      <td>9</td>\n",
       "      <td>3</td>\n",
       "      <td>7</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1395</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>6</td>\n",
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       "</table>\n",
       "<p>5 rows × 36994 columns</p>\n",
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      ],
      "text/plain": [
       "              cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "cell_line_id                                                           \n",
       "ES3                                                           0        \n",
       "ES5                                                           0        \n",
       "EW-11                                                         0        \n",
       "NCI-H1395                                                     0        \n",
       "NCI-H1770                                                     0        \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "cell_line_id                                                 \n",
       "ES3                                                      1   \n",
       "ES5                                                      1   \n",
       "EW-11                                                    1   \n",
       "NCI-H1395                                                0   \n",
       "NCI-H1770                                                0   \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "cell_line_id                                                   \n",
       "ES3                                                        0   \n",
       "ES5                                                        0   \n",
       "EW-11                                                      0   \n",
       "NCI-H1395                                                  0   \n",
       "NCI-H1770                                                  0   \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "cell_line_id                                                             \n",
       "ES3                                                           0          \n",
       "ES5                                                           0          \n",
       "EW-11                                                         0          \n",
       "NCI-H1395                                                     0          \n",
       "NCI-H1770                                                     0          \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "cell_line_id                                                   \n",
       "ES3                                                        0   \n",
       "ES5                                                        0   \n",
       "EW-11                                                      0   \n",
       "NCI-H1395                                                  0   \n",
       "NCI-H1770                                                  0   \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "cell_line_id                                                            \n",
       "ES3                                                           0         \n",
       "ES5                                                           0         \n",
       "EW-11                                                         0         \n",
       "NCI-H1395                                                     0         \n",
       "NCI-H1770                                                     0         \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "cell_line_id                                                     \n",
       "ES3                                                          0   \n",
       "ES5                                                          0   \n",
       "EW-11                                                        0   \n",
       "NCI-H1395                                                    0   \n",
       "NCI-H1770                                                    0   \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "cell_line_id                                                 \n",
       "ES3                                                      0   \n",
       "ES5                                                      0   \n",
       "EW-11                                                    0   \n",
       "NCI-H1395                                                0   \n",
       "NCI-H1770                                                0   \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  \\\n",
       "cell_line_id                                                       \n",
       "ES3                                                           0    \n",
       "ES5                                                           0    \n",
       "EW-11                                                         0    \n",
       "NCI-H1395                                                     1    \n",
       "NCI-H1770                                                     1    \n",
       "\n",
       "              cell-line-info_GDSC_Tissue_descriptor_1_lung_SCLC  \\\n",
       "cell_line_id                                                      \n",
       "ES3                                                           0   \n",
       "ES5                                                           0   \n",
       "EW-11                                                         0   \n",
       "NCI-H1395                                                     0   \n",
       "NCI-H1770                                                     0   \n",
       "\n",
       "                           ...                 \\\n",
       "cell_line_id               ...                  \n",
       "ES3                        ...                  \n",
       "ES5                        ...                  \n",
       "EW-11                      ...                  \n",
       "NCI-H1395                  ...                  \n",
       "NCI-H1770                  ...                  \n",
       "\n",
       "              cell-line_sangerENSG00000264575  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         5   \n",
       "ES5                                         6   \n",
       "EW-11                                       5   \n",
       "NCI-H1395                                   4   \n",
       "NCI-H1770                                   6   \n",
       "\n",
       "              cell-line_sangerENSG00000265060  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         3   \n",
       "ES5                                         3   \n",
       "EW-11                                       2   \n",
       "NCI-H1395                                   2   \n",
       "NCI-H1770                                   2   \n",
       "\n",
       "              cell-line_sangerENSG00000265246  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         3   \n",
       "ES5                                         3   \n",
       "EW-11                                       2   \n",
       "NCI-H1395                                   2   \n",
       "NCI-H1770                                   3   \n",
       "\n",
       "              cell-line_sangerENSG00000265298  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         8   \n",
       "ES5                                         8   \n",
       "EW-11                                       8   \n",
       "NCI-H1395                                   8   \n",
       "NCI-H1770                                   8   \n",
       "\n",
       "              cell-line_sangerENSG00000265480  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         3   \n",
       "ES5                                         3   \n",
       "EW-11                                       3   \n",
       "NCI-H1395                                   3   \n",
       "NCI-H1770                                   3   \n",
       "\n",
       "              cell-line_sangerENSG00000265929  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         2   \n",
       "ES5                                         3   \n",
       "EW-11                                       3   \n",
       "NCI-H1395                                   2   \n",
       "NCI-H1770                                   3   \n",
       "\n",
       "              cell-line_sangerENSG00000266066  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         3   \n",
       "ES5                                         2   \n",
       "EW-11                                       3   \n",
       "NCI-H1395                                   2   \n",
       "NCI-H1770                                   3   \n",
       "\n",
       "              cell-line_sangerENSG00000266282  \\\n",
       "cell_line_id                                    \n",
       "ES3                                         9   \n",
       "ES5                                         8   \n",
       "EW-11                                       9   \n",
       "NCI-H1395                                   9   \n",
       "NCI-H1770                                   9   \n",
       "\n",
       "              cell-line_sangerENSG00000266433  cell-line_sangerENSG00000266753  \n",
       "cell_line_id                                                                    \n",
       "ES3                                         3                                8  \n",
       "ES5                                         3                                8  \n",
       "EW-11                                       3                                7  \n",
       "NCI-H1395                                   3                                6  \n",
       "NCI-H1770                                   3                                6  \n",
       "\n",
       "[5 rows x 36994 columns]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "from tqdm import tqdm_notebook\n",
    "\n",
    "cell_df = pd.read_csv(file_cell_line_information)\n",
    "cell_df.drop(['Unnamed: 0'], axis=1,inplace=True)\n",
    "cell_df.set_index(\"cell_line_id\", inplace=True)\n",
    "print(cell_df.memory_usage(index=True).sum())\n",
    "for column in tqdm_notebook(cell_df.columns):\n",
    "    if set(cell_df[column]).issubset({0, 1}):\n",
    "        cell_df[column] = cell_df[column].astype(np.bool)\n",
    "    elif [x % 1 == 0 for x in set(cell_df[column])]:\n",
    "        cell_df[column] = cell_df[column].astype(np.int8)\n",
    "    else:\n",
    "        print(column, set(cell_df[column]))\n",
    "print(cell_df.memory_usage(index=True).sum())\n",
    "cell_df = cell_df.to_sparse(fill_value=False)\n",
    "print(cell_df.memory_usage(index=True).sum())\n",
    "print(cell_df.density)\n",
    "cell_df.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "369104\n",
      "755961040\n"
     ]
    }
   ],
   "source": [
    "print(df.memory_usage(index=True).sum())\n",
    "df = df.set_index(\"cell_line\").join(cell_df).set_index(\"drug_id\").join(drug_df)\n",
    "\n",
    "print(df.memory_usage(index=True).sum())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "ename": "MemoryError",
     "evalue": "",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[0;31mMemoryError\u001b[0m                               Traceback (most recent call last)",
      "\u001b[0;32m<ipython-input-18-e391dd4beec6>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m()\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[0mregr\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mRandomForestRegressor\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mmax_depth\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;36m2\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrandom_state\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mn_estimators\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;36m10\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m----> 2\u001b[0;31m \u001b[0mregr\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfit\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mdf\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdrop\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m\"IC50\"\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdf\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m\"IC50\"\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/sklearn/ensemble/forest.py\u001b[0m in \u001b[0;36mfit\u001b[0;34m(self, X, y, sample_weight)\u001b[0m\n\u001b[1;32m    245\u001b[0m         \"\"\"\n\u001b[1;32m    246\u001b[0m         \u001b[0;31m# Validate or convert input data\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 247\u001b[0;31m         \u001b[0mX\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mcheck_array\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mX\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0maccept_sparse\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;34m\"csc\"\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mDTYPE\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    248\u001b[0m         \u001b[0my\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mcheck_array\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0my\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0maccept_sparse\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;34m'csc'\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mensure_2d\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;32mFalse\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;32mNone\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    249\u001b[0m         \u001b[0;32mif\u001b[0m \u001b[0msample_weight\u001b[0m \u001b[0;32mis\u001b[0m \u001b[0;32mnot\u001b[0m \u001b[0;32mNone\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/sklearn/utils/validation.py\u001b[0m in \u001b[0;36mcheck_array\u001b[0;34m(array, accept_sparse, dtype, order, copy, force_all_finite, ensure_2d, allow_nd, ensure_min_samples, ensure_min_features, warn_on_dtype, estimator)\u001b[0m\n\u001b[1;32m    431\u001b[0m                                       force_all_finite)\n\u001b[1;32m    432\u001b[0m     \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 433\u001b[0;31m         \u001b[0marray\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0marray\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0marray\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mdtype\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0morder\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0morder\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mcopy\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mcopy\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    434\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    435\u001b[0m         \u001b[0;32mif\u001b[0m \u001b[0mensure_2d\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/pandas/core/generic.py\u001b[0m in \u001b[0;36m__array__\u001b[0;34m(self, dtype)\u001b[0m\n\u001b[1;32m   1149\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1150\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0m__array__\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;32mNone\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1151\u001b[0;31m         \u001b[0;32mreturn\u001b[0m \u001b[0m_values_from_object\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1152\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1153\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0m__array_wrap__\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mresult\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mcontext\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;32mNone\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32mpandas/_libs/lib.pyx\u001b[0m in \u001b[0;36mpandas._libs.lib.values_from_object\u001b[0;34m()\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/pandas/core/generic.py\u001b[0m in \u001b[0;36mget_values\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m   3823\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0mget_values\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3824\u001b[0m         \u001b[0;34m\"\"\"same as values (but handles sparseness conversions)\"\"\"\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3825\u001b[0;31m         \u001b[0;32mreturn\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mas_matrix\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3826\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3827\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0mget_dtype_counts\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/pandas/core/generic.py\u001b[0m in \u001b[0;36mas_matrix\u001b[0;34m(self, columns)\u001b[0m\n\u001b[1;32m   3790\u001b[0m         \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_consolidate_inplace\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3791\u001b[0m         \u001b[0;32mif\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_AXIS_REVERSED\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3792\u001b[0;31m             \u001b[0;32mreturn\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_data\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mas_matrix\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mcolumns\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mT\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3793\u001b[0m         \u001b[0;32mreturn\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_data\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mas_matrix\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mcolumns\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3794\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/pandas/core/internals.py\u001b[0m in \u001b[0;36mas_matrix\u001b[0;34m(self, items)\u001b[0m\n\u001b[1;32m   3676\u001b[0m             \u001b[0;32mreturn\u001b[0m \u001b[0mmgr\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mblocks\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_values\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3677\u001b[0m         \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3678\u001b[0;31m             \u001b[0;32mreturn\u001b[0m \u001b[0mmgr\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_interleave\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3679\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3680\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0m_interleave\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/lib/python3.6/site-packages/pandas/core/internals.py\u001b[0m in \u001b[0;36m_interleave\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m   3685\u001b[0m         \u001b[0mdtype\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0m_interleaved_dtype\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mblocks\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3686\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3687\u001b[0;31m         \u001b[0mresult\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mempty\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshape\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mdtype\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3688\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3689\u001b[0m         \u001b[0;32mif\u001b[0m \u001b[0mresult\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshape\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m==\u001b[0m \u001b[0;36m0\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mMemoryError\u001b[0m: "
     ]
    }
   ],
   "source": [
    "regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=10)\n",
    "regr.fit(df.drop(\"IC50\"), df[\"IC50\"])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'In': ['',\n",
       "  'import pandas as pd\\n\\n# Import pandas as pd\\nfilename_labels = \\'Data/Labels.txt\\'\\nfile_cell_line_name = \"Data/Cell_line_IDs.txt\"\\nfile_drug_name = \"Data/Drug_PubChem_IDs.txt\"\\nfile_drug_information = \\'Data/drug_features_pubchem_id.csv\\'\\nfile_cell_line_information = \\'Data/cell_line_features_cell_line_ids.csv\\'\\n\\n# Read Cell Line Names into list\\nwith open(file_cell_line_name) as f:\\n    cell_line_names = [line.strip() for line in f]\\n\\n# Read Drug Names into list\\nwith open(file_drug_name) as f:\\n    drug_names = [line.strip() for line in f]\\n\\n\\ndata = pd.read_csv(filename_labels, sep = \"\\\\t\", header=None, names=cell_line_names)\\ndata[\"drug_id\"] = drug_names\\ndata.set_index(\"drug_id\", inplace=True)\\ndata.shape\\n# Print out\\ndata.head()',\n",
       "  'cell_lines = []\\ndrug_ids = []\\nic50s = []\\n\\ndata.index\\ndata.columns\\n\\nfor row in data.index: # iterate over rows\\n    for column in data.columns:\\n        cell_lines.append(column)\\n        drug_ids.append(row)\\n        ic50s.append(data[column][row])\\n\\n\\nd = {\"cell_line\": cell_lines, \"drug_id\": drug_ids, \"IC50\": ic50s}\\ndf = pd.DataFrame(data=d)\\n#df.set_index([\"cell_line\", \"drug_id\"], inplace=True)',\n",
       "  'df.head()',\n",
       "  'import numpy as np\\ndrug_df = pd.read_csv(file_drug_information)\\ndrug_df.drop([\\'Unnamed: 0\\', \\'Unnamed: 0.1\\'], axis=1,inplace=True)\\ndrug_df.set_index(\"pubchem_id\", inplace=True)\\nprint(drug_df.memory_usage(index=True).sum())\\nfor column in drug_df.columns:\\n    if set(drug_df[column]).issubset({0, 1}):\\n        drug_df[column] = drug_df[column].astype(np.bool)\\nprint(drug_df.memory_usage(index=True).sum())\\ndrug_df = drug_df.to_sparse(fill_value=False)\\nprint(drug_df.memory_usage(index=True).sum())\\ndrug_df.head()',\n",
       "  'drug_df.density',\n",
       "  'from tqdm import tqdm_notebook\\n\\ncell_df = pd.read_csv(file_cell_line_information)\\ncell_df.drop([\\'Unnamed: 0\\'], axis=1,inplace=True)\\ncell_df.set_index(\"cell_line_id\", inplace=True)\\nprint(cell_df.memory_usage(index=True).sum())\\nfor column in tqdm_notebook(cell_df.columns):\\n    if set(cell_df[column]).issubset({0, 1}):\\n        cell_df[column] = cell_df[column].astype(np.bool)\\n    elif [x % 1 == 0 for x in set(cell_df[column])]:\\n        cell_df[column] = cell_df[column].astype(np.int8)\\n    else:\\n        print(column, set(cell_df[column]))\\nprint(cell_df.memory_usage(index=True).sum())\\ncell_df = cell_df.to_sparse(fill_value=False)\\nprint(cell_df.memory_usage(index=True).sum())\\nprint(cell_df.density)\\ncell_df.head()',\n",
       "  'print(df.memory_usage(index=True).sum())\\ndf = df.set_index(\"cell_line\").join(cell_df).set_index(\"drug_id\").join(drug_df)\\ndf.head()\\nprint(df.memory_usage(index=True).sum())',\n",
       "  'df.head()',\n",
       "  'df.head(100)',\n",
       "  'from sklearn.ensemble import RandomForestRegressor',\n",
       "  'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=100)',\n",
       "  'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=100)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       "  'globals()',\n",
       "  'globals',\n",
       "  'globals()',\n",
       "  'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=10)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       "  'locals()'],\n",
       " 'Out': {1:                ES3       ES5     EW-11  NCI-H1395  NCI-H1770   DMS-114  \\\n",
       "  drug_id                                                                  \n",
       "  176870    5.457453  6.177945  3.954488   5.429563   6.239001  6.439408   \n",
       "  5284616   2.712723  2.713280  0.083814   0.926814   2.125850 -1.892659   \n",
       "  5329102   3.624351  3.208216  3.540163   6.187608   2.676693  4.345598   \n",
       "  10461815  5.741999  2.671871  5.191223   2.379769   4.042987  5.904581   \n",
       "  462382    1.465161  1.482183  2.443964   4.074435   5.051646  0.368378   \n",
       "  \n",
       "            NCI-H1092  NCI-H2141  NCI-H345  NCI-H446    ...      D-502MG  \\\n",
       "  drug_id                                               ...                \n",
       "  176870     5.322913   5.481543  5.701747  5.829406    ...     2.853407   \n",
       "  5284616    1.661186   1.155157 -0.058457  0.278546    ...     1.145465   \n",
       "  5329102    5.835351   3.639802  5.687395  3.313991    ...     6.892013   \n",
       "  10461815   5.305583   4.700236  6.133696  6.221338    ...     4.200647   \n",
       "  462382    -0.945622   0.514722  3.047581  4.602755    ...     0.514084   \n",
       "  \n",
       "                EW-3      EW-1     EW-18     EW-24     LAN-6      NB10  \\\n",
       "  drug_id                                                                \n",
       "  176870    4.907507  3.862042  6.281844 -0.520144  5.284207  2.464594   \n",
       "  5284616   2.363574 -6.132267  1.956273  2.170812  2.116257  0.382757   \n",
       "  5329102   1.861296  1.543108  7.450205  6.305561  2.656457  7.379108   \n",
       "  10461815  4.961017  6.038975  3.709424  5.878941  5.791552  6.379263   \n",
       "  462382    4.552909 -1.558431  0.704762  3.476532 -1.161549  2.078887   \n",
       "  \n",
       "                 NB6       NB5      NB14  \n",
       "  drug_id                                 \n",
       "  176870    3.128087  2.331174  5.788405  \n",
       "  5284616   1.157696  5.900698  1.412155  \n",
       "  5329102   4.617955  4.390978  2.391296  \n",
       "  10461815  5.592871  6.070821  2.972592  \n",
       "  462382    3.432384  4.253437  4.990988  \n",
       "  \n",
       "  [5 rows x 124 columns], 3:        IC50  cell_line drug_id\n",
       "  0  5.457453        ES3  176870\n",
       "  1  6.177945        ES5  176870\n",
       "  2  3.954488      EW-11  176870\n",
       "  3  5.429563  NCI-H1395  176870\n",
       "  4  6.239001  NCI-H1770  176870, 4:             binary_is_connected  finger_standard_1  finger_standard_2  \\\n",
       "  pubchem_id                                                              \n",
       "  176870                     True              False               True   \n",
       "  5284616                    True              False              False   \n",
       "  5329102                    True              False              False   \n",
       "  10461815                   True              False              False   \n",
       "  462382                     True              False              False   \n",
       "  \n",
       "              finger_standard_3  finger_standard_4  finger_standard_5  \\\n",
       "  pubchem_id                                                            \n",
       "  176870                  False              False              False   \n",
       "  5284616                 False               True              False   \n",
       "  5329102                 False              False              False   \n",
       "  10461815                False              False              False   \n",
       "  462382                  False              False              False   \n",
       "  \n",
       "              finger_standard_6  finger_standard_7  finger_standard_8  \\\n",
       "  pubchem_id                                                            \n",
       "  176870                  False               True              False   \n",
       "  5284616                  True              False              False   \n",
       "  5329102                 False              False              False   \n",
       "  10461815                 True              False              False   \n",
       "  462382                  False              False              False   \n",
       "  \n",
       "              finger_standard_9  \\\n",
       "  pubchem_id                      \n",
       "  176870                  False   \n",
       "  5284616                 False   \n",
       "  5329102                 False   \n",
       "  10461815                False   \n",
       "  462382                  False   \n",
       "  \n",
       "                                    ...                          \\\n",
       "  pubchem_id                        ...                           \n",
       "  176870                            ...                           \n",
       "  5284616                           ...                           \n",
       "  5329102                           ...                           \n",
       "  10461815                          ...                           \n",
       "  462382                            ...                           \n",
       "  \n",
       "              finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "  pubchem_id                                                                     \n",
       "  176870                     False                 False                 False   \n",
       "  5284616                    False                 False                 False   \n",
       "  5329102                    False                 False                 False   \n",
       "  10461815                   False                 False                 False   \n",
       "  462382                     False                 False                 False   \n",
       "  \n",
       "              finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "  pubchem_id                                                                     \n",
       "  176870                     False                 False                 False   \n",
       "  5284616                    False                 False                 False   \n",
       "  5329102                    False                 False                 False   \n",
       "  10461815                   False                  True                 False   \n",
       "  462382                     False                 False                 False   \n",
       "  \n",
       "              finger_circular_1024  real_num_atoms  real_num_bonds  \\\n",
       "  pubchem_id                                                         \n",
       "  176870                     False              29              31   \n",
       "  5284616                     True              65              68   \n",
       "  5329102                    False              29              31   \n",
       "  10461815                   False              43              48   \n",
       "  462382                     False              34              34   \n",
       "  \n",
       "                                                          smile  \n",
       "  pubchem_id                                                     \n",
       "  176870      COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C...  \n",
       "  5284616     CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C...  \n",
       "  5329102     CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)...  \n",
       "  10461815    CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=...  \n",
       "  462382      CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=...  \n",
       "  \n",
       "  [5 rows x 12134 columns], 5: 0.10869417844818878, 6:               cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "  cell_line_id                                                           \n",
       "  ES3                                                           0        \n",
       "  ES5                                                           0        \n",
       "  EW-11                                                         0        \n",
       "  NCI-H1395                                                     0        \n",
       "  NCI-H1770                                                     0        \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "  cell_line_id                                                 \n",
       "  ES3                                                      1   \n",
       "  ES5                                                      1   \n",
       "  EW-11                                                    1   \n",
       "  NCI-H1395                                                0   \n",
       "  NCI-H1770                                                0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "  cell_line_id                                                   \n",
       "  ES3                                                        0   \n",
       "  ES5                                                        0   \n",
       "  EW-11                                                      0   \n",
       "  NCI-H1395                                                  0   \n",
       "  NCI-H1770                                                  0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "  cell_line_id                                                             \n",
       "  ES3                                                           0          \n",
       "  ES5                                                           0          \n",
       "  EW-11                                                         0          \n",
       "  NCI-H1395                                                     0          \n",
       "  NCI-H1770                                                     0          \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "  cell_line_id                                                   \n",
       "  ES3                                                        0   \n",
       "  ES5                                                        0   \n",
       "  EW-11                                                      0   \n",
       "  NCI-H1395                                                  0   \n",
       "  NCI-H1770                                                  0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "  cell_line_id                                                            \n",
       "  ES3                                                           0         \n",
       "  ES5                                                           0         \n",
       "  EW-11                                                         0         \n",
       "  NCI-H1395                                                     0         \n",
       "  NCI-H1770                                                     0         \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "  cell_line_id                                                     \n",
       "  ES3                                                          0   \n",
       "  ES5                                                          0   \n",
       "  EW-11                                                        0   \n",
       "  NCI-H1395                                                    0   \n",
       "  NCI-H1770                                                    0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "  cell_line_id                                                 \n",
       "  ES3                                                      0   \n",
       "  ES5                                                      0   \n",
       "  EW-11                                                    0   \n",
       "  NCI-H1395                                                0   \n",
       "  NCI-H1770                                                0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  \\\n",
       "  cell_line_id                                                       \n",
       "  ES3                                                           0    \n",
       "  ES5                                                           0    \n",
       "  EW-11                                                         0    \n",
       "  NCI-H1395                                                     1    \n",
       "  NCI-H1770                                                     1    \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_lung_SCLC  \\\n",
       "  cell_line_id                                                      \n",
       "  ES3                                                           0   \n",
       "  ES5                                                           0   \n",
       "  EW-11                                                         0   \n",
       "  NCI-H1395                                                     0   \n",
       "  NCI-H1770                                                     0   \n",
       "  \n",
       "                             ...                 \\\n",
       "  cell_line_id               ...                  \n",
       "  ES3                        ...                  \n",
       "  ES5                        ...                  \n",
       "  EW-11                      ...                  \n",
       "  NCI-H1395                  ...                  \n",
       "  NCI-H1770                  ...                  \n",
       "  \n",
       "                cell-line_sangerENSG00000264575  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         5   \n",
       "  ES5                                         6   \n",
       "  EW-11                                       5   \n",
       "  NCI-H1395                                   4   \n",
       "  NCI-H1770                                   6   \n",
       "  \n",
       "                cell-line_sangerENSG00000265060  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       2   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   2   \n",
       "  \n",
       "                cell-line_sangerENSG00000265246  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       2   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000265298  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         8   \n",
       "  ES5                                         8   \n",
       "  EW-11                                       8   \n",
       "  NCI-H1395                                   8   \n",
       "  NCI-H1770                                   8   \n",
       "  \n",
       "                cell-line_sangerENSG00000265480  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       3   \n",
       "  NCI-H1395                                   3   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000265929  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         2   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       3   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000266066  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         2   \n",
       "  EW-11                                       3   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000266282  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         9   \n",
       "  ES5                                         8   \n",
       "  EW-11                                       9   \n",
       "  NCI-H1395                                   9   \n",
       "  NCI-H1770                                   9   \n",
       "  \n",
       "                cell-line_sangerENSG00000266433  cell-line_sangerENSG00000266753  \n",
       "  cell_line_id                                                                    \n",
       "  ES3                                         3                                8  \n",
       "  ES5                                         3                                8  \n",
       "  EW-11                                       3                                7  \n",
       "  NCI-H1395                                   3                                6  \n",
       "  NCI-H1770                                   3                                6  \n",
       "  \n",
       "  [5 rows x 36994 columns], 8:               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "  10027278  0.527579                                                 -1        \n",
       "  10027278  6.763997                                                  1        \n",
       "  10027278  0.981147                                                  0        \n",
       "  10027278  4.596983                                                  0        \n",
       "  10027278  2.647292                                                  0        \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "  10027278                                                 -1          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "  10027278                                                 -1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "  10027278                                                -1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       "  10027278                                                 -1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  \n",
       "            finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  \n",
       "  [5 rows x 49129 columns], 9:               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "  10027278  0.527579                                                 -1        \n",
       "  10027278  6.763997                                                  1        \n",
       "  10027278  0.981147                                                  0        \n",
       "  10027278  4.596983                                                  0        \n",
       "  10027278  2.647292                                                  0        \n",
       "  10027278  4.499792                                                  0        \n",
       "  10027278  1.540992                                                  0        \n",
       "  10027278  2.038106                                                  0        \n",
       "  10027278  3.885426                                                  0        \n",
       "  10027278  4.868985                                                  0        \n",
       "  10027278  6.929347                                                  0        \n",
       "  10027278  7.904067                                                  0        \n",
       "  10027278  5.329425                                                  0        \n",
       "  10027278  6.141732                                                  0        \n",
       "  10027278  4.985634                                                  0        \n",
       "  10027278  4.605954                                                  0        \n",
       "  10027278  2.617578                                                  0        \n",
       "  10027278  6.892238                                                  0        \n",
       "  10027278  2.165392                                                  0        \n",
       "  10027278  3.914260                                                  0        \n",
       "  10027278  1.949293                                                  0        \n",
       "  10027278  4.875366                                                  1        \n",
       "  10027278  2.689854                                                  0        \n",
       "  10027278  2.465922                                                  0        \n",
       "  10027278  1.099724                                                  0        \n",
       "  10027278  5.215525                                                  0        \n",
       "  10027278  1.274005                                                  0        \n",
       "  10027278  4.777209                                                  0        \n",
       "  10027278  3.036858                                                  0        \n",
       "  10027278  2.769136                                                  0        \n",
       "  ...            ...                                                ...        \n",
       "  10027278  3.209305                                                  0        \n",
       "  10027278  3.006773                                                  0        \n",
       "  10027278  3.141745                                                  0        \n",
       "  10027278  2.531303                                                  0        \n",
       "  10027278  0.832117                                                  0        \n",
       "  10027278  4.741122                                                  0        \n",
       "  10027278  2.501358                                                  0        \n",
       "  10027278  7.253718                                                  0        \n",
       "  10027278  6.033894                                                  0        \n",
       "  10027278  2.466011                                                  0        \n",
       "  10027278  2.459268                                                  0        \n",
       "  10027278  2.070209                                                  0        \n",
       "  10027278  7.075341                                                  0        \n",
       "  10027278  6.261568                                                  0        \n",
       "  10027278  5.046181                                                  0        \n",
       "  10027278  4.415560                                                  0        \n",
       "  10027278  7.727221                                                  0        \n",
       "  10027278  3.528643                                                  0        \n",
       "  10027278  8.447803                                                  0        \n",
       "  10027278  6.989687                                                  0        \n",
       "  10027278  3.475065                                                  0        \n",
       "  10027278  5.293610                                                  0        \n",
       "  10027278  1.976900                                                  0        \n",
       "  10027278 -0.163967                                                  0        \n",
       "  10027278  7.350767                                                  0        \n",
       "  10027278  0.691129                                                  0        \n",
       "  10027278  2.920193                                                  0        \n",
       "  10027278  0.207813                                                  0        \n",
       "  10027278  6.694687                                                  0        \n",
       "  10027278  2.719482                                                  0        \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             0   \n",
       "  ...                                                ...   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  ...                                                  ...   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "  10027278                                                 -1          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  1          \n",
       "  ...                                                     ...          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  1          \n",
       "  10027278                                                  1          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  ...                                                  ...   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "  10027278                                                 -1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  1         \n",
       "  10027278                                                  0         \n",
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       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
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       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  ...                                                     ...         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "  10027278                                                -1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  ...                                                    ...   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  ...                                                ...   \n",
       "  10027278                                             1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       "  10027278                                                 -1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  ...                                                     ...   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  \n",
       "            finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  ...                        ...                   ...                   ...   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  ...                        ...                   ...                   ...   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  ...                        ...             ...             ...    ...  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  \n",
       "  [100 rows x 49129 columns], 13: {...}, 14: <function globals>, 15: {...}},\n",
       " 'RandomForestRegressor': sklearn.ensemble.forest.RandomForestRegressor,\n",
       " '_': {...},\n",
       " '_1':                ES3       ES5     EW-11  NCI-H1395  NCI-H1770   DMS-114  \\\n",
       " drug_id                                                                  \n",
       " 176870    5.457453  6.177945  3.954488   5.429563   6.239001  6.439408   \n",
       " 5284616   2.712723  2.713280  0.083814   0.926814   2.125850 -1.892659   \n",
       " 5329102   3.624351  3.208216  3.540163   6.187608   2.676693  4.345598   \n",
       " 10461815  5.741999  2.671871  5.191223   2.379769   4.042987  5.904581   \n",
       " 462382    1.465161  1.482183  2.443964   4.074435   5.051646  0.368378   \n",
       " \n",
       "           NCI-H1092  NCI-H2141  NCI-H345  NCI-H446    ...      D-502MG  \\\n",
       " drug_id                                               ...                \n",
       " 176870     5.322913   5.481543  5.701747  5.829406    ...     2.853407   \n",
       " 5284616    1.661186   1.155157 -0.058457  0.278546    ...     1.145465   \n",
       " 5329102    5.835351   3.639802  5.687395  3.313991    ...     6.892013   \n",
       " 10461815   5.305583   4.700236  6.133696  6.221338    ...     4.200647   \n",
       " 462382    -0.945622   0.514722  3.047581  4.602755    ...     0.514084   \n",
       " \n",
       "               EW-3      EW-1     EW-18     EW-24     LAN-6      NB10  \\\n",
       " drug_id                                                                \n",
       " 176870    4.907507  3.862042  6.281844 -0.520144  5.284207  2.464594   \n",
       " 5284616   2.363574 -6.132267  1.956273  2.170812  2.116257  0.382757   \n",
       " 5329102   1.861296  1.543108  7.450205  6.305561  2.656457  7.379108   \n",
       " 10461815  4.961017  6.038975  3.709424  5.878941  5.791552  6.379263   \n",
       " 462382    4.552909 -1.558431  0.704762  3.476532 -1.161549  2.078887   \n",
       " \n",
       "                NB6       NB5      NB14  \n",
       " drug_id                                 \n",
       " 176870    3.128087  2.331174  5.788405  \n",
       " 5284616   1.157696  5.900698  1.412155  \n",
       " 5329102   4.617955  4.390978  2.391296  \n",
       " 10461815  5.592871  6.070821  2.972592  \n",
       " 462382    3.432384  4.253437  4.990988  \n",
       " \n",
       " [5 rows x 124 columns],\n",
       " '_13': {...},\n",
       " '_14': <function globals>,\n",
       " '_15': {...},\n",
       " '_3':        IC50  cell_line drug_id\n",
       " 0  5.457453        ES3  176870\n",
       " 1  6.177945        ES5  176870\n",
       " 2  3.954488      EW-11  176870\n",
       " 3  5.429563  NCI-H1395  176870\n",
       " 4  6.239001  NCI-H1770  176870,\n",
       " '_4':             binary_is_connected  finger_standard_1  finger_standard_2  \\\n",
       " pubchem_id                                                              \n",
       " 176870                     True              False               True   \n",
       " 5284616                    True              False              False   \n",
       " 5329102                    True              False              False   \n",
       " 10461815                   True              False              False   \n",
       " 462382                     True              False              False   \n",
       " \n",
       "             finger_standard_3  finger_standard_4  finger_standard_5  \\\n",
       " pubchem_id                                                            \n",
       " 176870                  False              False              False   \n",
       " 5284616                 False               True              False   \n",
       " 5329102                 False              False              False   \n",
       " 10461815                False              False              False   \n",
       " 462382                  False              False              False   \n",
       " \n",
       "             finger_standard_6  finger_standard_7  finger_standard_8  \\\n",
       " pubchem_id                                                            \n",
       " 176870                  False               True              False   \n",
       " 5284616                  True              False              False   \n",
       " 5329102                 False              False              False   \n",
       " 10461815                 True              False              False   \n",
       " 462382                  False              False              False   \n",
       " \n",
       "             finger_standard_9  \\\n",
       " pubchem_id                      \n",
       " 176870                  False   \n",
       " 5284616                 False   \n",
       " 5329102                 False   \n",
       " 10461815                False   \n",
       " 462382                  False   \n",
       " \n",
       "                                   ...                          \\\n",
       " pubchem_id                        ...                           \n",
       " 176870                            ...                           \n",
       " 5284616                           ...                           \n",
       " 5329102                           ...                           \n",
       " 10461815                          ...                           \n",
       " 462382                            ...                           \n",
       " \n",
       "             finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       " pubchem_id                                                                     \n",
       " 176870                     False                 False                 False   \n",
       " 5284616                    False                 False                 False   \n",
       " 5329102                    False                 False                 False   \n",
       " 10461815                   False                 False                 False   \n",
       " 462382                     False                 False                 False   \n",
       " \n",
       "             finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       " pubchem_id                                                                     \n",
       " 176870                     False                 False                 False   \n",
       " 5284616                    False                 False                 False   \n",
       " 5329102                    False                 False                 False   \n",
       " 10461815                   False                  True                 False   \n",
       " 462382                     False                 False                 False   \n",
       " \n",
       "             finger_circular_1024  real_num_atoms  real_num_bonds  \\\n",
       " pubchem_id                                                         \n",
       " 176870                     False              29              31   \n",
       " 5284616                     True              65              68   \n",
       " 5329102                    False              29              31   \n",
       " 10461815                   False              43              48   \n",
       " 462382                     False              34              34   \n",
       " \n",
       "                                                         smile  \n",
       " pubchem_id                                                     \n",
       " 176870      COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C...  \n",
       " 5284616     CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C...  \n",
       " 5329102     CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)...  \n",
       " 10461815    CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=...  \n",
       " 462382      CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=...  \n",
       " \n",
       " [5 rows x 12134 columns],\n",
       " '_5': 0.10869417844818878,\n",
       " '_6':               cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       " cell_line_id                                                           \n",
       " ES3                                                           0        \n",
       " ES5                                                           0        \n",
       " EW-11                                                         0        \n",
       " NCI-H1395                                                     0        \n",
       " NCI-H1770                                                     0        \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       " cell_line_id                                                 \n",
       " ES3                                                      1   \n",
       " ES5                                                      1   \n",
       " EW-11                                                    1   \n",
       " NCI-H1395                                                0   \n",
       " NCI-H1770                                                0   \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       " cell_line_id                                                   \n",
       " ES3                                                        0   \n",
       " ES5                                                        0   \n",
       " EW-11                                                      0   \n",
       " NCI-H1395                                                  0   \n",
       " NCI-H1770                                                  0   \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       " cell_line_id                                                             \n",
       " ES3                                                           0          \n",
       " ES5                                                           0          \n",
       " EW-11                                                         0          \n",
       " NCI-H1395                                                     0          \n",
       " NCI-H1770                                                     0          \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       " cell_line_id                                                   \n",
       " ES3                                                        0   \n",
       " ES5                                                        0   \n",
       " EW-11                                                      0   \n",
       " NCI-H1395                                                  0   \n",
       " NCI-H1770                                                  0   \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       " cell_line_id                                                            \n",
       " ES3                                                           0         \n",
       " ES5                                                           0         \n",
       " EW-11                                                         0         \n",
       " NCI-H1395                                                     0         \n",
       " NCI-H1770                                                     0         \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       " cell_line_id                                                     \n",
       " ES3                                                          0   \n",
       " ES5                                                          0   \n",
       " EW-11                                                        0   \n",
       " NCI-H1395                                                    0   \n",
       " NCI-H1770                                                    0   \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       " cell_line_id                                                 \n",
       " ES3                                                      0   \n",
       " ES5                                                      0   \n",
       " EW-11                                                    0   \n",
       " NCI-H1395                                                0   \n",
       " NCI-H1770                                                0   \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  \\\n",
       " cell_line_id                                                       \n",
       " ES3                                                           0    \n",
       " ES5                                                           0    \n",
       " EW-11                                                         0    \n",
       " NCI-H1395                                                     1    \n",
       " NCI-H1770                                                     1    \n",
       " \n",
       "               cell-line-info_GDSC_Tissue_descriptor_1_lung_SCLC  \\\n",
       " cell_line_id                                                      \n",
       " ES3                                                           0   \n",
       " ES5                                                           0   \n",
       " EW-11                                                         0   \n",
       " NCI-H1395                                                     0   \n",
       " NCI-H1770                                                     0   \n",
       " \n",
       "                            ...                 \\\n",
       " cell_line_id               ...                  \n",
       " ES3                        ...                  \n",
       " ES5                        ...                  \n",
       " EW-11                      ...                  \n",
       " NCI-H1395                  ...                  \n",
       " NCI-H1770                  ...                  \n",
       " \n",
       "               cell-line_sangerENSG00000264575  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         5   \n",
       " ES5                                         6   \n",
       " EW-11                                       5   \n",
       " NCI-H1395                                   4   \n",
       " NCI-H1770                                   6   \n",
       " \n",
       "               cell-line_sangerENSG00000265060  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         3   \n",
       " ES5                                         3   \n",
       " EW-11                                       2   \n",
       " NCI-H1395                                   2   \n",
       " NCI-H1770                                   2   \n",
       " \n",
       "               cell-line_sangerENSG00000265246  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         3   \n",
       " ES5                                         3   \n",
       " EW-11                                       2   \n",
       " NCI-H1395                                   2   \n",
       " NCI-H1770                                   3   \n",
       " \n",
       "               cell-line_sangerENSG00000265298  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         8   \n",
       " ES5                                         8   \n",
       " EW-11                                       8   \n",
       " NCI-H1395                                   8   \n",
       " NCI-H1770                                   8   \n",
       " \n",
       "               cell-line_sangerENSG00000265480  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         3   \n",
       " ES5                                         3   \n",
       " EW-11                                       3   \n",
       " NCI-H1395                                   3   \n",
       " NCI-H1770                                   3   \n",
       " \n",
       "               cell-line_sangerENSG00000265929  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         2   \n",
       " ES5                                         3   \n",
       " EW-11                                       3   \n",
       " NCI-H1395                                   2   \n",
       " NCI-H1770                                   3   \n",
       " \n",
       "               cell-line_sangerENSG00000266066  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         3   \n",
       " ES5                                         2   \n",
       " EW-11                                       3   \n",
       " NCI-H1395                                   2   \n",
       " NCI-H1770                                   3   \n",
       " \n",
       "               cell-line_sangerENSG00000266282  \\\n",
       " cell_line_id                                    \n",
       " ES3                                         9   \n",
       " ES5                                         8   \n",
       " EW-11                                       9   \n",
       " NCI-H1395                                   9   \n",
       " NCI-H1770                                   9   \n",
       " \n",
       "               cell-line_sangerENSG00000266433  cell-line_sangerENSG00000266753  \n",
       " cell_line_id                                                                    \n",
       " ES3                                         3                                8  \n",
       " ES5                                         3                                8  \n",
       " EW-11                                       3                                7  \n",
       " NCI-H1395                                   3                                6  \n",
       " NCI-H1770                                   3                                6  \n",
       " \n",
       " [5 rows x 36994 columns],\n",
       " '_8':               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       " 10027278  0.527579                                                 -1        \n",
       " 10027278  6.763997                                                  1        \n",
       " 10027278  0.981147                                                  0        \n",
       " 10027278  4.596983                                                  0        \n",
       " 10027278  2.647292                                                  0        \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       " 10027278                                            -1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       " 10027278                                              -1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       " 10027278                                                 -1          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       " 10027278                                              -1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       " 10027278                                                 -1         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       " 10027278                                                -1   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       " 10027278                                            -1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       " 10027278                                                 -1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " \n",
       "           finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " \n",
       "           finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " \n",
       "           finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " \n",
       " [5 rows x 49129 columns],\n",
       " '_9':               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       " 10027278  0.527579                                                 -1        \n",
       " 10027278  6.763997                                                  1        \n",
       " 10027278  0.981147                                                  0        \n",
       " 10027278  4.596983                                                  0        \n",
       " 10027278  2.647292                                                  0        \n",
       " 10027278  4.499792                                                  0        \n",
       " 10027278  1.540992                                                  0        \n",
       " 10027278  2.038106                                                  0        \n",
       " 10027278  3.885426                                                  0        \n",
       " 10027278  4.868985                                                  0        \n",
       " 10027278  6.929347                                                  0        \n",
       " 10027278  7.904067                                                  0        \n",
       " 10027278  5.329425                                                  0        \n",
       " 10027278  6.141732                                                  0        \n",
       " 10027278  4.985634                                                  0        \n",
       " 10027278  4.605954                                                  0        \n",
       " 10027278  2.617578                                                  0        \n",
       " 10027278  6.892238                                                  0        \n",
       " 10027278  2.165392                                                  0        \n",
       " 10027278  3.914260                                                  0        \n",
       " 10027278  1.949293                                                  0        \n",
       " 10027278  4.875366                                                  1        \n",
       " 10027278  2.689854                                                  0        \n",
       " 10027278  2.465922                                                  0        \n",
       " 10027278  1.099724                                                  0        \n",
       " 10027278  5.215525                                                  0        \n",
       " 10027278  1.274005                                                  0        \n",
       " 10027278  4.777209                                                  0        \n",
       " 10027278  3.036858                                                  0        \n",
       " 10027278  2.769136                                                  0        \n",
       " ...            ...                                                ...        \n",
       " 10027278  3.209305                                                  0        \n",
       " 10027278  3.006773                                                  0        \n",
       " 10027278  3.141745                                                  0        \n",
       " 10027278  2.531303                                                  0        \n",
       " 10027278  0.832117                                                  0        \n",
       " 10027278  4.741122                                                  0        \n",
       " 10027278  2.501358                                                  0        \n",
       " 10027278  7.253718                                                  0        \n",
       " 10027278  6.033894                                                  0        \n",
       " 10027278  2.466011                                                  0        \n",
       " 10027278  2.459268                                                  0        \n",
       " 10027278  2.070209                                                  0        \n",
       " 10027278  7.075341                                                  0        \n",
       " 10027278  6.261568                                                  0        \n",
       " 10027278  5.046181                                                  0        \n",
       " 10027278  4.415560                                                  0        \n",
       " 10027278  7.727221                                                  0        \n",
       " 10027278  3.528643                                                  0        \n",
       " 10027278  8.447803                                                  0        \n",
       " 10027278  6.989687                                                  0        \n",
       " 10027278  3.475065                                                  0        \n",
       " 10027278  5.293610                                                  0        \n",
       " 10027278  1.976900                                                  0        \n",
       " 10027278 -0.163967                                                  0        \n",
       " 10027278  7.350767                                                  0        \n",
       " 10027278  0.691129                                                  0        \n",
       " 10027278  2.920193                                                  0        \n",
       " 10027278  0.207813                                                  0        \n",
       " 10027278  6.694687                                                  0        \n",
       " 10027278  2.719482                                                  0        \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       " 10027278                                            -1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
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       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             0   \n",
       " ...                                                ...   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       " 10027278                                              -1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " ...                                                  ...   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       " 10027278                                                 -1          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
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       " 10027278                                                  0          \n",
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       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
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       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  1          \n",
       " ...                                                     ...          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  1          \n",
       " 10027278                                                  1          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       " 10027278                                              -1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " ...                                                  ...   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       " 10027278                                                 -1         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  1         \n",
       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  1         \n",
       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " ...                                                     ...         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
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       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       " 10027278                                                -1   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " ...                                                    ...   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 1   \n",
       " 10027278                                                 1   \n",
       " 10027278                                                 1   \n",
       " 10027278                                                 1   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 1   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       " 10027278                                            -1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " ...                                                ...   \n",
       " 10027278                                             1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       " 10027278                                                 -1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " ...                                                     ...   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  1   ...     \n",
       " 10027278                                                  1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  1   ...     \n",
       " 10027278                                                  1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " \n",
       "           finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " ...                        ...                   ...                   ...   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " \n",
       "           finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " ...                        ...                   ...                   ...   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " \n",
       "           finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " ...                        ...             ...             ...    ...  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " \n",
       " [100 rows x 49129 columns],\n",
       " '__': <function globals>,\n",
       " '___': {...},\n",
       " '__builtin__': <module 'builtins' (built-in)>,\n",
       " '__builtins__': <module 'builtins' (built-in)>,\n",
       " '__doc__': 'Automatically created module for IPython interactive environment',\n",
       " '__loader__': None,\n",
       " '__name__': '__main__',\n",
       " '__package__': None,\n",
       " '__spec__': None,\n",
       " '_dh': ['/home/soeren/Documents/PM_ML/Cancer-Drug-Response-Prediction'],\n",
       " '_i': 'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=10)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       " '_i1': 'import pandas as pd\\n\\n# Import pandas as pd\\nfilename_labels = \\'Data/Labels.txt\\'\\nfile_cell_line_name = \"Data/Cell_line_IDs.txt\"\\nfile_drug_name = \"Data/Drug_PubChem_IDs.txt\"\\nfile_drug_information = \\'Data/drug_features_pubchem_id.csv\\'\\nfile_cell_line_information = \\'Data/cell_line_features_cell_line_ids.csv\\'\\n\\n# Read Cell Line Names into list\\nwith open(file_cell_line_name) as f:\\n    cell_line_names = [line.strip() for line in f]\\n\\n# Read Drug Names into list\\nwith open(file_drug_name) as f:\\n    drug_names = [line.strip() for line in f]\\n\\n\\ndata = pd.read_csv(filename_labels, sep = \"\\\\t\", header=None, names=cell_line_names)\\ndata[\"drug_id\"] = drug_names\\ndata.set_index(\"drug_id\", inplace=True)\\ndata.shape\\n# Print out\\ndata.head()',\n",
       " '_i10': 'from sklearn.ensemble import RandomForestRegressor',\n",
       " '_i11': 'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=100)',\n",
       " '_i12': 'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=100)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       " '_i13': 'globals()',\n",
       " '_i14': 'globals',\n",
       " '_i15': 'globals()',\n",
       " '_i16': 'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=10)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       " '_i17': 'locals()',\n",
       " '_i2': 'cell_lines = []\\ndrug_ids = []\\nic50s = []\\n\\ndata.index\\ndata.columns\\n\\nfor row in data.index: # iterate over rows\\n    for column in data.columns:\\n        cell_lines.append(column)\\n        drug_ids.append(row)\\n        ic50s.append(data[column][row])\\n\\n\\nd = {\"cell_line\": cell_lines, \"drug_id\": drug_ids, \"IC50\": ic50s}\\ndf = pd.DataFrame(data=d)\\n#df.set_index([\"cell_line\", \"drug_id\"], inplace=True)',\n",
       " '_i3': 'df.head()',\n",
       " '_i4': 'import numpy as np\\ndrug_df = pd.read_csv(file_drug_information)\\ndrug_df.drop([\\'Unnamed: 0\\', \\'Unnamed: 0.1\\'], axis=1,inplace=True)\\ndrug_df.set_index(\"pubchem_id\", inplace=True)\\nprint(drug_df.memory_usage(index=True).sum())\\nfor column in drug_df.columns:\\n    if set(drug_df[column]).issubset({0, 1}):\\n        drug_df[column] = drug_df[column].astype(np.bool)\\nprint(drug_df.memory_usage(index=True).sum())\\ndrug_df = drug_df.to_sparse(fill_value=False)\\nprint(drug_df.memory_usage(index=True).sum())\\ndrug_df.head()',\n",
       " '_i5': 'drug_df.density',\n",
       " '_i6': 'from tqdm import tqdm_notebook\\n\\ncell_df = pd.read_csv(file_cell_line_information)\\ncell_df.drop([\\'Unnamed: 0\\'], axis=1,inplace=True)\\ncell_df.set_index(\"cell_line_id\", inplace=True)\\nprint(cell_df.memory_usage(index=True).sum())\\nfor column in tqdm_notebook(cell_df.columns):\\n    if set(cell_df[column]).issubset({0, 1}):\\n        cell_df[column] = cell_df[column].astype(np.bool)\\n    elif [x % 1 == 0 for x in set(cell_df[column])]:\\n        cell_df[column] = cell_df[column].astype(np.int8)\\n    else:\\n        print(column, set(cell_df[column]))\\nprint(cell_df.memory_usage(index=True).sum())\\ncell_df = cell_df.to_sparse(fill_value=False)\\nprint(cell_df.memory_usage(index=True).sum())\\nprint(cell_df.density)\\ncell_df.head()',\n",
       " '_i7': 'print(df.memory_usage(index=True).sum())\\ndf = df.set_index(\"cell_line\").join(cell_df).set_index(\"drug_id\").join(drug_df)\\ndf.head()\\nprint(df.memory_usage(index=True).sum())',\n",
       " '_i8': 'df.head()',\n",
       " '_i9': 'df.head(100)',\n",
       " '_ih': ['',\n",
       "  'import pandas as pd\\n\\n# Import pandas as pd\\nfilename_labels = \\'Data/Labels.txt\\'\\nfile_cell_line_name = \"Data/Cell_line_IDs.txt\"\\nfile_drug_name = \"Data/Drug_PubChem_IDs.txt\"\\nfile_drug_information = \\'Data/drug_features_pubchem_id.csv\\'\\nfile_cell_line_information = \\'Data/cell_line_features_cell_line_ids.csv\\'\\n\\n# Read Cell Line Names into list\\nwith open(file_cell_line_name) as f:\\n    cell_line_names = [line.strip() for line in f]\\n\\n# Read Drug Names into list\\nwith open(file_drug_name) as f:\\n    drug_names = [line.strip() for line in f]\\n\\n\\ndata = pd.read_csv(filename_labels, sep = \"\\\\t\", header=None, names=cell_line_names)\\ndata[\"drug_id\"] = drug_names\\ndata.set_index(\"drug_id\", inplace=True)\\ndata.shape\\n# Print out\\ndata.head()',\n",
       "  'cell_lines = []\\ndrug_ids = []\\nic50s = []\\n\\ndata.index\\ndata.columns\\n\\nfor row in data.index: # iterate over rows\\n    for column in data.columns:\\n        cell_lines.append(column)\\n        drug_ids.append(row)\\n        ic50s.append(data[column][row])\\n\\n\\nd = {\"cell_line\": cell_lines, \"drug_id\": drug_ids, \"IC50\": ic50s}\\ndf = pd.DataFrame(data=d)\\n#df.set_index([\"cell_line\", \"drug_id\"], inplace=True)',\n",
       "  'df.head()',\n",
       "  'import numpy as np\\ndrug_df = pd.read_csv(file_drug_information)\\ndrug_df.drop([\\'Unnamed: 0\\', \\'Unnamed: 0.1\\'], axis=1,inplace=True)\\ndrug_df.set_index(\"pubchem_id\", inplace=True)\\nprint(drug_df.memory_usage(index=True).sum())\\nfor column in drug_df.columns:\\n    if set(drug_df[column]).issubset({0, 1}):\\n        drug_df[column] = drug_df[column].astype(np.bool)\\nprint(drug_df.memory_usage(index=True).sum())\\ndrug_df = drug_df.to_sparse(fill_value=False)\\nprint(drug_df.memory_usage(index=True).sum())\\ndrug_df.head()',\n",
       "  'drug_df.density',\n",
       "  'from tqdm import tqdm_notebook\\n\\ncell_df = pd.read_csv(file_cell_line_information)\\ncell_df.drop([\\'Unnamed: 0\\'], axis=1,inplace=True)\\ncell_df.set_index(\"cell_line_id\", inplace=True)\\nprint(cell_df.memory_usage(index=True).sum())\\nfor column in tqdm_notebook(cell_df.columns):\\n    if set(cell_df[column]).issubset({0, 1}):\\n        cell_df[column] = cell_df[column].astype(np.bool)\\n    elif [x % 1 == 0 for x in set(cell_df[column])]:\\n        cell_df[column] = cell_df[column].astype(np.int8)\\n    else:\\n        print(column, set(cell_df[column]))\\nprint(cell_df.memory_usage(index=True).sum())\\ncell_df = cell_df.to_sparse(fill_value=False)\\nprint(cell_df.memory_usage(index=True).sum())\\nprint(cell_df.density)\\ncell_df.head()',\n",
       "  'print(df.memory_usage(index=True).sum())\\ndf = df.set_index(\"cell_line\").join(cell_df).set_index(\"drug_id\").join(drug_df)\\ndf.head()\\nprint(df.memory_usage(index=True).sum())',\n",
       "  'df.head()',\n",
       "  'df.head(100)',\n",
       "  'from sklearn.ensemble import RandomForestRegressor',\n",
       "  'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=100)',\n",
       "  'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=100)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       "  'globals()',\n",
       "  'globals',\n",
       "  'globals()',\n",
       "  'regr = RandomForestRegressor(max_depth=2, random_state=0, n_estimators=10)\\nregr.fit(df.drop(\"IC50\"), df[\"IC50\"])',\n",
       "  'locals()'],\n",
       " '_ii': 'globals()',\n",
       " '_iii': 'globals',\n",
       " '_oh': {1:                ES3       ES5     EW-11  NCI-H1395  NCI-H1770   DMS-114  \\\n",
       "  drug_id                                                                  \n",
       "  176870    5.457453  6.177945  3.954488   5.429563   6.239001  6.439408   \n",
       "  5284616   2.712723  2.713280  0.083814   0.926814   2.125850 -1.892659   \n",
       "  5329102   3.624351  3.208216  3.540163   6.187608   2.676693  4.345598   \n",
       "  10461815  5.741999  2.671871  5.191223   2.379769   4.042987  5.904581   \n",
       "  462382    1.465161  1.482183  2.443964   4.074435   5.051646  0.368378   \n",
       "  \n",
       "            NCI-H1092  NCI-H2141  NCI-H345  NCI-H446    ...      D-502MG  \\\n",
       "  drug_id                                               ...                \n",
       "  176870     5.322913   5.481543  5.701747  5.829406    ...     2.853407   \n",
       "  5284616    1.661186   1.155157 -0.058457  0.278546    ...     1.145465   \n",
       "  5329102    5.835351   3.639802  5.687395  3.313991    ...     6.892013   \n",
       "  10461815   5.305583   4.700236  6.133696  6.221338    ...     4.200647   \n",
       "  462382    -0.945622   0.514722  3.047581  4.602755    ...     0.514084   \n",
       "  \n",
       "                EW-3      EW-1     EW-18     EW-24     LAN-6      NB10  \\\n",
       "  drug_id                                                                \n",
       "  176870    4.907507  3.862042  6.281844 -0.520144  5.284207  2.464594   \n",
       "  5284616   2.363574 -6.132267  1.956273  2.170812  2.116257  0.382757   \n",
       "  5329102   1.861296  1.543108  7.450205  6.305561  2.656457  7.379108   \n",
       "  10461815  4.961017  6.038975  3.709424  5.878941  5.791552  6.379263   \n",
       "  462382    4.552909 -1.558431  0.704762  3.476532 -1.161549  2.078887   \n",
       "  \n",
       "                 NB6       NB5      NB14  \n",
       "  drug_id                                 \n",
       "  176870    3.128087  2.331174  5.788405  \n",
       "  5284616   1.157696  5.900698  1.412155  \n",
       "  5329102   4.617955  4.390978  2.391296  \n",
       "  10461815  5.592871  6.070821  2.972592  \n",
       "  462382    3.432384  4.253437  4.990988  \n",
       "  \n",
       "  [5 rows x 124 columns], 3:        IC50  cell_line drug_id\n",
       "  0  5.457453        ES3  176870\n",
       "  1  6.177945        ES5  176870\n",
       "  2  3.954488      EW-11  176870\n",
       "  3  5.429563  NCI-H1395  176870\n",
       "  4  6.239001  NCI-H1770  176870, 4:             binary_is_connected  finger_standard_1  finger_standard_2  \\\n",
       "  pubchem_id                                                              \n",
       "  176870                     True              False               True   \n",
       "  5284616                    True              False              False   \n",
       "  5329102                    True              False              False   \n",
       "  10461815                   True              False              False   \n",
       "  462382                     True              False              False   \n",
       "  \n",
       "              finger_standard_3  finger_standard_4  finger_standard_5  \\\n",
       "  pubchem_id                                                            \n",
       "  176870                  False              False              False   \n",
       "  5284616                 False               True              False   \n",
       "  5329102                 False              False              False   \n",
       "  10461815                False              False              False   \n",
       "  462382                  False              False              False   \n",
       "  \n",
       "              finger_standard_6  finger_standard_7  finger_standard_8  \\\n",
       "  pubchem_id                                                            \n",
       "  176870                  False               True              False   \n",
       "  5284616                  True              False              False   \n",
       "  5329102                 False              False              False   \n",
       "  10461815                 True              False              False   \n",
       "  462382                  False              False              False   \n",
       "  \n",
       "              finger_standard_9  \\\n",
       "  pubchem_id                      \n",
       "  176870                  False   \n",
       "  5284616                 False   \n",
       "  5329102                 False   \n",
       "  10461815                False   \n",
       "  462382                  False   \n",
       "  \n",
       "                                    ...                          \\\n",
       "  pubchem_id                        ...                           \n",
       "  176870                            ...                           \n",
       "  5284616                           ...                           \n",
       "  5329102                           ...                           \n",
       "  10461815                          ...                           \n",
       "  462382                            ...                           \n",
       "  \n",
       "              finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "  pubchem_id                                                                     \n",
       "  176870                     False                 False                 False   \n",
       "  5284616                    False                 False                 False   \n",
       "  5329102                    False                 False                 False   \n",
       "  10461815                   False                 False                 False   \n",
       "  462382                     False                 False                 False   \n",
       "  \n",
       "              finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "  pubchem_id                                                                     \n",
       "  176870                     False                 False                 False   \n",
       "  5284616                    False                 False                 False   \n",
       "  5329102                    False                 False                 False   \n",
       "  10461815                   False                  True                 False   \n",
       "  462382                     False                 False                 False   \n",
       "  \n",
       "              finger_circular_1024  real_num_atoms  real_num_bonds  \\\n",
       "  pubchem_id                                                         \n",
       "  176870                     False              29              31   \n",
       "  5284616                     True              65              68   \n",
       "  5329102                    False              29              31   \n",
       "  10461815                   False              43              48   \n",
       "  462382                     False              34              34   \n",
       "  \n",
       "                                                          smile  \n",
       "  pubchem_id                                                     \n",
       "  176870      COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C...  \n",
       "  5284616     CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C...  \n",
       "  5329102     CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)...  \n",
       "  10461815    CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=...  \n",
       "  462382      CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=...  \n",
       "  \n",
       "  [5 rows x 12134 columns], 5: 0.10869417844818878, 6:               cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "  cell_line_id                                                           \n",
       "  ES3                                                           0        \n",
       "  ES5                                                           0        \n",
       "  EW-11                                                         0        \n",
       "  NCI-H1395                                                     0        \n",
       "  NCI-H1770                                                     0        \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "  cell_line_id                                                 \n",
       "  ES3                                                      1   \n",
       "  ES5                                                      1   \n",
       "  EW-11                                                    1   \n",
       "  NCI-H1395                                                0   \n",
       "  NCI-H1770                                                0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "  cell_line_id                                                   \n",
       "  ES3                                                        0   \n",
       "  ES5                                                        0   \n",
       "  EW-11                                                      0   \n",
       "  NCI-H1395                                                  0   \n",
       "  NCI-H1770                                                  0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "  cell_line_id                                                             \n",
       "  ES3                                                           0          \n",
       "  ES5                                                           0          \n",
       "  EW-11                                                         0          \n",
       "  NCI-H1395                                                     0          \n",
       "  NCI-H1770                                                     0          \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "  cell_line_id                                                   \n",
       "  ES3                                                        0   \n",
       "  ES5                                                        0   \n",
       "  EW-11                                                      0   \n",
       "  NCI-H1395                                                  0   \n",
       "  NCI-H1770                                                  0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "  cell_line_id                                                            \n",
       "  ES3                                                           0         \n",
       "  ES5                                                           0         \n",
       "  EW-11                                                         0         \n",
       "  NCI-H1395                                                     0         \n",
       "  NCI-H1770                                                     0         \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "  cell_line_id                                                     \n",
       "  ES3                                                          0   \n",
       "  ES5                                                          0   \n",
       "  EW-11                                                        0   \n",
       "  NCI-H1395                                                    0   \n",
       "  NCI-H1770                                                    0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "  cell_line_id                                                 \n",
       "  ES3                                                      0   \n",
       "  ES5                                                      0   \n",
       "  EW-11                                                    0   \n",
       "  NCI-H1395                                                0   \n",
       "  NCI-H1770                                                0   \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  \\\n",
       "  cell_line_id                                                       \n",
       "  ES3                                                           0    \n",
       "  ES5                                                           0    \n",
       "  EW-11                                                         0    \n",
       "  NCI-H1395                                                     1    \n",
       "  NCI-H1770                                                     1    \n",
       "  \n",
       "                cell-line-info_GDSC_Tissue_descriptor_1_lung_SCLC  \\\n",
       "  cell_line_id                                                      \n",
       "  ES3                                                           0   \n",
       "  ES5                                                           0   \n",
       "  EW-11                                                         0   \n",
       "  NCI-H1395                                                     0   \n",
       "  NCI-H1770                                                     0   \n",
       "  \n",
       "                             ...                 \\\n",
       "  cell_line_id               ...                  \n",
       "  ES3                        ...                  \n",
       "  ES5                        ...                  \n",
       "  EW-11                      ...                  \n",
       "  NCI-H1395                  ...                  \n",
       "  NCI-H1770                  ...                  \n",
       "  \n",
       "                cell-line_sangerENSG00000264575  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         5   \n",
       "  ES5                                         6   \n",
       "  EW-11                                       5   \n",
       "  NCI-H1395                                   4   \n",
       "  NCI-H1770                                   6   \n",
       "  \n",
       "                cell-line_sangerENSG00000265060  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       2   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   2   \n",
       "  \n",
       "                cell-line_sangerENSG00000265246  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       2   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000265298  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         8   \n",
       "  ES5                                         8   \n",
       "  EW-11                                       8   \n",
       "  NCI-H1395                                   8   \n",
       "  NCI-H1770                                   8   \n",
       "  \n",
       "                cell-line_sangerENSG00000265480  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       3   \n",
       "  NCI-H1395                                   3   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000265929  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         2   \n",
       "  ES5                                         3   \n",
       "  EW-11                                       3   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000266066  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         3   \n",
       "  ES5                                         2   \n",
       "  EW-11                                       3   \n",
       "  NCI-H1395                                   2   \n",
       "  NCI-H1770                                   3   \n",
       "  \n",
       "                cell-line_sangerENSG00000266282  \\\n",
       "  cell_line_id                                    \n",
       "  ES3                                         9   \n",
       "  ES5                                         8   \n",
       "  EW-11                                       9   \n",
       "  NCI-H1395                                   9   \n",
       "  NCI-H1770                                   9   \n",
       "  \n",
       "                cell-line_sangerENSG00000266433  cell-line_sangerENSG00000266753  \n",
       "  cell_line_id                                                                    \n",
       "  ES3                                         3                                8  \n",
       "  ES5                                         3                                8  \n",
       "  EW-11                                       3                                7  \n",
       "  NCI-H1395                                   3                                6  \n",
       "  NCI-H1770                                   3                                6  \n",
       "  \n",
       "  [5 rows x 36994 columns], 8:               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "  10027278  0.527579                                                 -1        \n",
       "  10027278  6.763997                                                  1        \n",
       "  10027278  0.981147                                                  0        \n",
       "  10027278  4.596983                                                  0        \n",
       "  10027278  2.647292                                                  0        \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "  10027278                                                 -1          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "  10027278                                                 -1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "  10027278                                                -1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       "  10027278                                                 -1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  \n",
       "            finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  \n",
       "  [5 rows x 49129 columns], 9:               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       "  10027278  0.527579                                                 -1        \n",
       "  10027278  6.763997                                                  1        \n",
       "  10027278  0.981147                                                  0        \n",
       "  10027278  4.596983                                                  0        \n",
       "  10027278  2.647292                                                  0        \n",
       "  10027278  4.499792                                                  0        \n",
       "  10027278  1.540992                                                  0        \n",
       "  10027278  2.038106                                                  0        \n",
       "  10027278  3.885426                                                  0        \n",
       "  10027278  4.868985                                                  0        \n",
       "  10027278  6.929347                                                  0        \n",
       "  10027278  7.904067                                                  0        \n",
       "  10027278  5.329425                                                  0        \n",
       "  10027278  6.141732                                                  0        \n",
       "  10027278  4.985634                                                  0        \n",
       "  10027278  4.605954                                                  0        \n",
       "  10027278  2.617578                                                  0        \n",
       "  10027278  6.892238                                                  0        \n",
       "  10027278  2.165392                                                  0        \n",
       "  10027278  3.914260                                                  0        \n",
       "  10027278  1.949293                                                  0        \n",
       "  10027278  4.875366                                                  1        \n",
       "  10027278  2.689854                                                  0        \n",
       "  10027278  2.465922                                                  0        \n",
       "  10027278  1.099724                                                  0        \n",
       "  10027278  5.215525                                                  0        \n",
       "  10027278  1.274005                                                  0        \n",
       "  10027278  4.777209                                                  0        \n",
       "  10027278  3.036858                                                  0        \n",
       "  10027278  2.769136                                                  0        \n",
       "  ...            ...                                                ...        \n",
       "  10027278  3.209305                                                  0        \n",
       "  10027278  3.006773                                                  0        \n",
       "  10027278  3.141745                                                  0        \n",
       "  10027278  2.531303                                                  0        \n",
       "  10027278  0.832117                                                  0        \n",
       "  10027278  4.741122                                                  0        \n",
       "  10027278  2.501358                                                  0        \n",
       "  10027278  7.253718                                                  0        \n",
       "  10027278  6.033894                                                  0        \n",
       "  10027278  2.466011                                                  0        \n",
       "  10027278  2.459268                                                  0        \n",
       "  10027278  2.070209                                                  0        \n",
       "  10027278  7.075341                                                  0        \n",
       "  10027278  6.261568                                                  0        \n",
       "  10027278  5.046181                                                  0        \n",
       "  10027278  4.415560                                                  0        \n",
       "  10027278  7.727221                                                  0        \n",
       "  10027278  3.528643                                                  0        \n",
       "  10027278  8.447803                                                  0        \n",
       "  10027278  6.989687                                                  0        \n",
       "  10027278  3.475065                                                  0        \n",
       "  10027278  5.293610                                                  0        \n",
       "  10027278  1.976900                                                  0        \n",
       "  10027278 -0.163967                                                  0        \n",
       "  10027278  7.350767                                                  0        \n",
       "  10027278  0.691129                                                  0        \n",
       "  10027278  2.920193                                                  0        \n",
       "  10027278  0.207813                                                  0        \n",
       "  10027278  6.694687                                                  0        \n",
       "  10027278  2.719482                                                  0        \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             1   \n",
       "  10027278                                             0   \n",
       "  ...                                                ...   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  ...                                                  ...   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       "  10027278                                                 -1          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  1          \n",
       "  ...                                                     ...          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  1          \n",
       "  10027278                                                  1          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  10027278                                                  0          \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       "  10027278                                              -1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  ...                                                  ...   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               1   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  10027278                                               0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       "  10027278                                                 -1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  1         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  ...                                                     ...         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  10027278                                                  0         \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       "  10027278                                                -1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  ...                                                    ...   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 1   \n",
       "  10027278                                                 0   \n",
       "  10027278                                                 0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       "  10027278                                            -1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  ...                                                ...   \n",
       "  10027278                                             1   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  10027278                                             0   \n",
       "  \n",
       "            cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       "  10027278                                                 -1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  ...                                                     ...   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  1   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  10027278                                                  0   ...     \n",
       "  \n",
       "            finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  ...                        ...                   ...                   ...   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  ...                        ...                   ...                   ...   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  10027278                 False                 False                 False   \n",
       "  \n",
       "            finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  ...                        ...             ...             ...    ...  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  10027278                 False             NaN             NaN    NaN  \n",
       "  \n",
       "  [100 rows x 49129 columns], 13: {...}, 14: <function globals>, 15: {...}},\n",
       " 'cell_df':                 cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       " cell_line_id                                                             \n",
       " ES3                                                             0        \n",
       " ES5                                                             0        \n",
       " EW-11                                                           0        \n",
       " NCI-H1395                                                       0        \n",
       " NCI-H1770                                                       0        \n",
       " DMS-114                                                         0        \n",
       " NCI-H1092                                                       0        \n",
       " NCI-H2141                                                       0        \n",
       " NCI-H345                                                        0        \n",
       " NCI-H446                                                        0        \n",
       " NCI-H82                                                         0        \n",
       " SK-N-DZ                                                         0        \n",
       " Calu-6                                                          0        \n",
       " LU-65                                                           0        \n",
       " SHP-77                                                          0        \n",
       " HCC1187                                                         0        \n",
       " HCC2157                                                         0        \n",
       " HCC2218                                                         0        \n",
       " BB49-HNC                                                        1        \n",
       " CPC-N                                                           0        \n",
       " EC-GI-10                                                        1        \n",
       " IM-9                                                            0        \n",
       " IST-SL1                                                         0        \n",
       " LB831-BLC                                                       0        \n",
       " LU-134-A                                                        0        \n",
       " MS-1                                                            0        \n",
       " MZ7-mel                                                         0        \n",
       " NCI-H510A                                                       0        \n",
       " SK-MM-2                                                         0        \n",
       " TE-1                                                            1        \n",
       " ...                                                           ...        \n",
       " WSU-NHL                                                         0        \n",
       " RCC10RGB                                                        0        \n",
       " KURAMOCHI                                                       0        \n",
       " Ramos-2G6-4C10                                                  0        \n",
       " CW-2                                                            0        \n",
       " COLO-320-HSR                                                    0        \n",
       " COLO-684                                                        0        \n",
       " CA46                                                            0        \n",
       " RL                                                              0        \n",
       " SNU-C1                                                          0        \n",
       " ST486                                                           0        \n",
       " BC-1                                                            0        \n",
       " CAS-1                                                           0        \n",
       " MFM-223                                                         0        \n",
       " LS-1034                                                         0        \n",
       " HDLM-2                                                          0        \n",
       " KNS-81-FD                                                       0        \n",
       " TE-6                                                            1        \n",
       " TE-12                                                           1        \n",
       " D-263MG                                                         0        \n",
       " D-502MG                                                         0        \n",
       " EW-3                                                            0        \n",
       " EW-1                                                            0        \n",
       " EW-18                                                           0        \n",
       " EW-24                                                           0        \n",
       " LAN-6                                                           0        \n",
       " NB10                                                            0        \n",
       " NB6                                                             0        \n",
       " NB5                                                             0        \n",
       " NB14                                                            0        \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       " cell_line_id                                                   \n",
       " ES3                                                        1   \n",
       " ES5                                                        1   \n",
       " EW-11                                                      1   \n",
       " NCI-H1395                                                  0   \n",
       " NCI-H1770                                                  0   \n",
       " DMS-114                                                    0   \n",
       " NCI-H1092                                                  0   \n",
       " NCI-H2141                                                  0   \n",
       " NCI-H345                                                   0   \n",
       " NCI-H446                                                   0   \n",
       " NCI-H82                                                    0   \n",
       " SK-N-DZ                                                    0   \n",
       " Calu-6                                                     0   \n",
       " LU-65                                                      0   \n",
       " SHP-77                                                     0   \n",
       " HCC1187                                                    0   \n",
       " HCC2157                                                    0   \n",
       " HCC2218                                                    0   \n",
       " BB49-HNC                                                   0   \n",
       " CPC-N                                                      0   \n",
       " EC-GI-10                                                   0   \n",
       " IM-9                                                       0   \n",
       " IST-SL1                                                    0   \n",
       " LB831-BLC                                                  0   \n",
       " LU-134-A                                                   0   \n",
       " MS-1                                                       0   \n",
       " MZ7-mel                                                    0   \n",
       " NCI-H510A                                                  0   \n",
       " SK-MM-2                                                    0   \n",
       " TE-1                                                       0   \n",
       " ...                                                      ...   \n",
       " WSU-NHL                                                    0   \n",
       " RCC10RGB                                                   0   \n",
       " KURAMOCHI                                                  0   \n",
       " Ramos-2G6-4C10                                             0   \n",
       " CW-2                                                       0   \n",
       " COLO-320-HSR                                               0   \n",
       " COLO-684                                                   0   \n",
       " CA46                                                       0   \n",
       " RL                                                         0   \n",
       " SNU-C1                                                     0   \n",
       " ST486                                                      0   \n",
       " BC-1                                                       0   \n",
       " CAS-1                                                      0   \n",
       " MFM-223                                                    0   \n",
       " LS-1034                                                    0   \n",
       " HDLM-2                                                     0   \n",
       " KNS-81-FD                                                  0   \n",
       " TE-6                                                       0   \n",
       " TE-12                                                      0   \n",
       " D-263MG                                                    0   \n",
       " D-502MG                                                    0   \n",
       " EW-3                                                       1   \n",
       " EW-1                                                       1   \n",
       " EW-18                                                      1   \n",
       " EW-24                                                      1   \n",
       " LAN-6                                                      0   \n",
       " NB10                                                       0   \n",
       " NB6                                                        0   \n",
       " NB5                                                        0   \n",
       " NB14                                                       0   \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       " cell_line_id                                                     \n",
       " ES3                                                          0   \n",
       " ES5                                                          0   \n",
       " EW-11                                                        0   \n",
       " NCI-H1395                                                    0   \n",
       " NCI-H1770                                                    0   \n",
       " DMS-114                                                      0   \n",
       " NCI-H1092                                                    0   \n",
       " NCI-H2141                                                    0   \n",
       " NCI-H345                                                     0   \n",
       " NCI-H446                                                     0   \n",
       " NCI-H82                                                      0   \n",
       " SK-N-DZ                                                      0   \n",
       " Calu-6                                                       0   \n",
       " LU-65                                                        0   \n",
       " SHP-77                                                       0   \n",
       " HCC1187                                                      1   \n",
       " HCC2157                                                      1   \n",
       " HCC2218                                                      1   \n",
       " BB49-HNC                                                     0   \n",
       " CPC-N                                                        0   \n",
       " EC-GI-10                                                     0   \n",
       " IM-9                                                         0   \n",
       " IST-SL1                                                      0   \n",
       " LB831-BLC                                                    0   \n",
       " LU-134-A                                                     0   \n",
       " MS-1                                                         0   \n",
       " MZ7-mel                                                      0   \n",
       " NCI-H510A                                                    0   \n",
       " SK-MM-2                                                      0   \n",
       " TE-1                                                         0   \n",
       " ...                                                        ...   \n",
       " WSU-NHL                                                      0   \n",
       " RCC10RGB                                                     0   \n",
       " KURAMOCHI                                                    0   \n",
       " Ramos-2G6-4C10                                               0   \n",
       " CW-2                                                         0   \n",
       " COLO-320-HSR                                                 0   \n",
       " COLO-684                                                     0   \n",
       " CA46                                                         0   \n",
       " RL                                                           0   \n",
       " SNU-C1                                                       0   \n",
       " ST486                                                        0   \n",
       " BC-1                                                         0   \n",
       " CAS-1                                                        0   \n",
       " MFM-223                                                      1   \n",
       " LS-1034                                                      0   \n",
       " HDLM-2                                                       0   \n",
       " KNS-81-FD                                                    0   \n",
       " TE-6                                                         0   \n",
       " TE-12                                                        0   \n",
       " D-263MG                                                      0   \n",
       " D-502MG                                                      0   \n",
       " EW-3                                                         0   \n",
       " EW-1                                                         0   \n",
       " EW-18                                                        0   \n",
       " EW-24                                                        0   \n",
       " LAN-6                                                        0   \n",
       " NB10                                                         0   \n",
       " NB6                                                          0   \n",
       " NB5                                                          0   \n",
       " NB14                                                         0   \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       " cell_line_id                                                               \n",
       " ES3                                                             0          \n",
       " ES5                                                             0          \n",
       " EW-11                                                           0          \n",
       " NCI-H1395                                                       0          \n",
       " NCI-H1770                                                       0          \n",
       " DMS-114                                                         0          \n",
       " NCI-H1092                                                       0          \n",
       " NCI-H2141                                                       0          \n",
       " NCI-H345                                                        0          \n",
       " NCI-H446                                                        0          \n",
       " NCI-H82                                                         0          \n",
       " SK-N-DZ                                                         0          \n",
       " Calu-6                                                          0          \n",
       " LU-65                                                           0          \n",
       " SHP-77                                                          0          \n",
       " HCC1187                                                         0          \n",
       " HCC2157                                                         0          \n",
       " HCC2218                                                         0          \n",
       " BB49-HNC                                                        0          \n",
       " CPC-N                                                           0          \n",
       " EC-GI-10                                                        0          \n",
       " IM-9                                                            0          \n",
       " IST-SL1                                                         0          \n",
       " LB831-BLC                                                       0          \n",
       " LU-134-A                                                        0          \n",
       " MS-1                                                            0          \n",
       " MZ7-mel                                                         0          \n",
       " NCI-H510A                                                       0          \n",
       " SK-MM-2                                                         0          \n",
       " TE-1                                                            0          \n",
       " ...                                                           ...          \n",
       " WSU-NHL                                                         0          \n",
       " RCC10RGB                                                        0          \n",
       " KURAMOCHI                                                       0          \n",
       " Ramos-2G6-4C10                                                  0          \n",
       " CW-2                                                            0          \n",
       " COLO-320-HSR                                                    0          \n",
       " COLO-684                                                        0          \n",
       " CA46                                                            0          \n",
       " RL                                                              0          \n",
       " SNU-C1                                                          0          \n",
       " ST486                                                           0          \n",
       " BC-1                                                            0          \n",
       " CAS-1                                                           0          \n",
       " MFM-223                                                         0          \n",
       " LS-1034                                                         0          \n",
       " HDLM-2                                                          0          \n",
       " KNS-81-FD                                                       0          \n",
       " TE-6                                                            0          \n",
       " TE-12                                                           0          \n",
       " D-263MG                                                         0          \n",
       " D-502MG                                                         0          \n",
       " EW-3                                                            0          \n",
       " EW-1                                                            0          \n",
       " EW-18                                                           0          \n",
       " EW-24                                                           0          \n",
       " LAN-6                                                           0          \n",
       " NB10                                                            0          \n",
       " NB6                                                             0          \n",
       " NB5                                                             0          \n",
       " NB14                                                            0          \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       " cell_line_id                                                     \n",
       " ES3                                                          0   \n",
       " ES5                                                          0   \n",
       " EW-11                                                        0   \n",
       " NCI-H1395                                                    0   \n",
       " NCI-H1770                                                    0   \n",
       " DMS-114                                                      0   \n",
       " NCI-H1092                                                    0   \n",
       " NCI-H2141                                                    0   \n",
       " NCI-H345                                                     0   \n",
       " NCI-H446                                                     0   \n",
       " NCI-H82                                                      0   \n",
       " SK-N-DZ                                                      0   \n",
       " Calu-6                                                       0   \n",
       " LU-65                                                        0   \n",
       " SHP-77                                                       0   \n",
       " HCC1187                                                      0   \n",
       " HCC2157                                                      0   \n",
       " HCC2218                                                      0   \n",
       " BB49-HNC                                                     0   \n",
       " CPC-N                                                        0   \n",
       " EC-GI-10                                                     0   \n",
       " IM-9                                                         0   \n",
       " IST-SL1                                                      0   \n",
       " LB831-BLC                                                    0   \n",
       " LU-134-A                                                     0   \n",
       " MS-1                                                         0   \n",
       " MZ7-mel                                                      0   \n",
       " NCI-H510A                                                    0   \n",
       " SK-MM-2                                                      0   \n",
       " TE-1                                                         0   \n",
       " ...                                                        ...   \n",
       " WSU-NHL                                                      0   \n",
       " RCC10RGB                                                     1   \n",
       " KURAMOCHI                                                    0   \n",
       " Ramos-2G6-4C10                                               0   \n",
       " CW-2                                                         0   \n",
       " COLO-320-HSR                                                 0   \n",
       " COLO-684                                                     0   \n",
       " CA46                                                         0   \n",
       " RL                                                           0   \n",
       " SNU-C1                                                       0   \n",
       " ST486                                                        0   \n",
       " BC-1                                                         0   \n",
       " CAS-1                                                        0   \n",
       " MFM-223                                                      0   \n",
       " LS-1034                                                      0   \n",
       " HDLM-2                                                       0   \n",
       " KNS-81-FD                                                    0   \n",
       " TE-6                                                         0   \n",
       " TE-12                                                        0   \n",
       " D-263MG                                                      0   \n",
       " D-502MG                                                      0   \n",
       " EW-3                                                         0   \n",
       " EW-1                                                         0   \n",
       " EW-18                                                        0   \n",
       " EW-24                                                        0   \n",
       " LAN-6                                                        0   \n",
       " NB10                                                         0   \n",
       " NB6                                                          0   \n",
       " NB5                                                          0   \n",
       " NB14                                                         0   \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       " cell_line_id                                                              \n",
       " ES3                                                             0         \n",
       " ES5                                                             0         \n",
       " EW-11                                                           0         \n",
       " NCI-H1395                                                       0         \n",
       " NCI-H1770                                                       0         \n",
       " DMS-114                                                         0         \n",
       " NCI-H1092                                                       0         \n",
       " NCI-H2141                                                       0         \n",
       " NCI-H345                                                        0         \n",
       " NCI-H446                                                        0         \n",
       " NCI-H82                                                         0         \n",
       " SK-N-DZ                                                         0         \n",
       " Calu-6                                                          0         \n",
       " LU-65                                                           0         \n",
       " SHP-77                                                          0         \n",
       " HCC1187                                                         0         \n",
       " HCC2157                                                         0         \n",
       " HCC2218                                                         0         \n",
       " BB49-HNC                                                        0         \n",
       " CPC-N                                                           0         \n",
       " EC-GI-10                                                        0         \n",
       " IM-9                                                            0         \n",
       " IST-SL1                                                         0         \n",
       " LB831-BLC                                                       0         \n",
       " LU-134-A                                                        0         \n",
       " MS-1                                                            0         \n",
       " MZ7-mel                                                         0         \n",
       " NCI-H510A                                                       0         \n",
       " SK-MM-2                                                         0         \n",
       " TE-1                                                            0         \n",
       " ...                                                           ...         \n",
       " WSU-NHL                                                         0         \n",
       " RCC10RGB                                                        0         \n",
       " KURAMOCHI                                                       0         \n",
       " Ramos-2G6-4C10                                                  0         \n",
       " CW-2                                                            1         \n",
       " COLO-320-HSR                                                    1         \n",
       " COLO-684                                                        0         \n",
       " CA46                                                            0         \n",
       " RL                                                              0         \n",
       " SNU-C1                                                          1         \n",
       " ST486                                                           0         \n",
       " BC-1                                                            0         \n",
       " CAS-1                                                           0         \n",
       " MFM-223                                                         0         \n",
       " LS-1034                                                         1         \n",
       " HDLM-2                                                          0         \n",
       " KNS-81-FD                                                       0         \n",
       " TE-6                                                            0         \n",
       " TE-12                                                           0         \n",
       " D-263MG                                                         0         \n",
       " D-502MG                                                         0         \n",
       " EW-3                                                            0         \n",
       " EW-1                                                            0         \n",
       " EW-18                                                           0         \n",
       " EW-24                                                           0         \n",
       " LAN-6                                                           0         \n",
       " NB10                                                            0         \n",
       " NB6                                                             0         \n",
       " NB5                                                             0         \n",
       " NB14                                                            0         \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       " cell_line_id                                                       \n",
       " ES3                                                            0   \n",
       " ES5                                                            0   \n",
       " EW-11                                                          0   \n",
       " NCI-H1395                                                      0   \n",
       " NCI-H1770                                                      0   \n",
       " DMS-114                                                        0   \n",
       " NCI-H1092                                                      0   \n",
       " NCI-H2141                                                      0   \n",
       " NCI-H345                                                       0   \n",
       " NCI-H446                                                       0   \n",
       " NCI-H82                                                        0   \n",
       " SK-N-DZ                                                        0   \n",
       " Calu-6                                                         0   \n",
       " LU-65                                                          0   \n",
       " SHP-77                                                         0   \n",
       " HCC1187                                                        0   \n",
       " HCC2157                                                        0   \n",
       " HCC2218                                                        0   \n",
       " BB49-HNC                                                       0   \n",
       " CPC-N                                                          0   \n",
       " EC-GI-10                                                       0   \n",
       " IM-9                                                           0   \n",
       " IST-SL1                                                        0   \n",
       " LB831-BLC                                                      0   \n",
       " LU-134-A                                                       0   \n",
       " MS-1                                                           0   \n",
       " MZ7-mel                                                        0   \n",
       " NCI-H510A                                                      0   \n",
       " SK-MM-2                                                        0   \n",
       " TE-1                                                           0   \n",
       " ...                                                          ...   \n",
       " WSU-NHL                                                        0   \n",
       " RCC10RGB                                                       0   \n",
       " KURAMOCHI                                                      0   \n",
       " Ramos-2G6-4C10                                                 0   \n",
       " CW-2                                                           0   \n",
       " COLO-320-HSR                                                   0   \n",
       " COLO-684                                                       0   \n",
       " CA46                                                           0   \n",
       " RL                                                             0   \n",
       " SNU-C1                                                         0   \n",
       " ST486                                                          0   \n",
       " BC-1                                                           0   \n",
       " CAS-1                                                          0   \n",
       " MFM-223                                                        0   \n",
       " LS-1034                                                        0   \n",
       " HDLM-2                                                         0   \n",
       " KNS-81-FD                                                      0   \n",
       " TE-6                                                           0   \n",
       " TE-12                                                          0   \n",
       " D-263MG                                                        0   \n",
       " D-502MG                                                        0   \n",
       " EW-3                                                           0   \n",
       " EW-1                                                           0   \n",
       " EW-18                                                          0   \n",
       " EW-24                                                          0   \n",
       " LAN-6                                                          0   \n",
       " NB10                                                           0   \n",
       " NB6                                                            0   \n",
       " NB5                                                            0   \n",
       " NB14                                                           0   \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       " cell_line_id                                                   \n",
       " ES3                                                        0   \n",
       " ES5                                                        0   \n",
       " EW-11                                                      0   \n",
       " NCI-H1395                                                  0   \n",
       " NCI-H1770                                                  0   \n",
       " DMS-114                                                    0   \n",
       " NCI-H1092                                                  0   \n",
       " NCI-H2141                                                  0   \n",
       " NCI-H345                                                   0   \n",
       " NCI-H446                                                   0   \n",
       " NCI-H82                                                    0   \n",
       " SK-N-DZ                                                    0   \n",
       " Calu-6                                                     0   \n",
       " LU-65                                                      0   \n",
       " SHP-77                                                     0   \n",
       " HCC1187                                                    0   \n",
       " HCC2157                                                    0   \n",
       " HCC2218                                                    0   \n",
       " BB49-HNC                                                   0   \n",
       " CPC-N                                                      0   \n",
       " EC-GI-10                                                   0   \n",
       " IM-9                                                       0   \n",
       " IST-SL1                                                    0   \n",
       " LB831-BLC                                                  0   \n",
       " LU-134-A                                                   0   \n",
       " MS-1                                                       0   \n",
       " MZ7-mel                                                    0   \n",
       " NCI-H510A                                                  0   \n",
       " SK-MM-2                                                    0   \n",
       " TE-1                                                       0   \n",
       " ...                                                      ...   \n",
       " WSU-NHL                                                    0   \n",
       " RCC10RGB                                                   0   \n",
       " KURAMOCHI                                                  0   \n",
       " Ramos-2G6-4C10                                             0   \n",
       " CW-2                                                       0   \n",
       " COLO-320-HSR                                               0   \n",
       " COLO-684                                                   0   \n",
       " CA46                                                       0   \n",
       " RL                                                         0   \n",
       " SNU-C1                                                     0   \n",
       " ST486                                                      0   \n",
       " BC-1                                                       0   \n",
       " CAS-1                                                      0   \n",
       " MFM-223                                                    0   \n",
       " LS-1034                                                    0   \n",
       " HDLM-2                                                     0   \n",
       " KNS-81-FD                                                  0   \n",
       " TE-6                                                       0   \n",
       " TE-12                                                      0   \n",
       " D-263MG                                                    0   \n",
       " D-502MG                                                    0   \n",
       " EW-3                                                       0   \n",
       " EW-1                                                       0   \n",
       " EW-18                                                      0   \n",
       " EW-24                                                      0   \n",
       " LAN-6                                                      0   \n",
       " NB10                                                       0   \n",
       " NB6                                                        0   \n",
       " NB5                                                        0   \n",
       " NB14                                                       0   \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  \\\n",
       " cell_line_id                                                         \n",
       " ES3                                                             0    \n",
       " ES5                                                             0    \n",
       " EW-11                                                           0    \n",
       " NCI-H1395                                                       1    \n",
       " NCI-H1770                                                       1    \n",
       " DMS-114                                                         0    \n",
       " NCI-H1092                                                       0    \n",
       " NCI-H2141                                                       0    \n",
       " NCI-H345                                                        0    \n",
       " NCI-H446                                                        0    \n",
       " NCI-H82                                                         0    \n",
       " SK-N-DZ                                                         0    \n",
       " Calu-6                                                          1    \n",
       " LU-65                                                           1    \n",
       " SHP-77                                                          0    \n",
       " HCC1187                                                         0    \n",
       " HCC2157                                                         0    \n",
       " HCC2218                                                         0    \n",
       " BB49-HNC                                                        0    \n",
       " CPC-N                                                           0    \n",
       " EC-GI-10                                                        0    \n",
       " IM-9                                                            0    \n",
       " IST-SL1                                                         0    \n",
       " LB831-BLC                                                       0    \n",
       " LU-134-A                                                        0    \n",
       " MS-1                                                            0    \n",
       " MZ7-mel                                                         0    \n",
       " NCI-H510A                                                       0    \n",
       " SK-MM-2                                                         0    \n",
       " TE-1                                                            0    \n",
       " ...                                                           ...    \n",
       " WSU-NHL                                                         0    \n",
       " RCC10RGB                                                        0    \n",
       " KURAMOCHI                                                       0    \n",
       " Ramos-2G6-4C10                                                  0    \n",
       " CW-2                                                            0    \n",
       " COLO-320-HSR                                                    0    \n",
       " COLO-684                                                        0    \n",
       " CA46                                                            0    \n",
       " RL                                                              0    \n",
       " SNU-C1                                                          0    \n",
       " ST486                                                           0    \n",
       " BC-1                                                            0    \n",
       " CAS-1                                                           0    \n",
       " MFM-223                                                         0    \n",
       " LS-1034                                                         0    \n",
       " HDLM-2                                                          0    \n",
       " KNS-81-FD                                                       0    \n",
       " TE-6                                                            0    \n",
       " TE-12                                                           0    \n",
       " D-263MG                                                         0    \n",
       " D-502MG                                                         0    \n",
       " EW-3                                                            0    \n",
       " EW-1                                                            0    \n",
       " EW-18                                                           0    \n",
       " EW-24                                                           0    \n",
       " LAN-6                                                           0    \n",
       " NB10                                                            0    \n",
       " NB6                                                             0    \n",
       " NB5                                                             0    \n",
       " NB14                                                            0    \n",
       " \n",
       "                 cell-line-info_GDSC_Tissue_descriptor_1_lung_SCLC  \\\n",
       " cell_line_id                                                        \n",
       " ES3                                                             0   \n",
       " ES5                                                             0   \n",
       " EW-11                                                           0   \n",
       " NCI-H1395                                                       0   \n",
       " NCI-H1770                                                       0   \n",
       " DMS-114                                                         1   \n",
       " NCI-H1092                                                       1   \n",
       " NCI-H2141                                                       1   \n",
       " NCI-H345                                                        1   \n",
       " NCI-H446                                                        1   \n",
       " NCI-H82                                                         1   \n",
       " SK-N-DZ                                                         0   \n",
       " Calu-6                                                          0   \n",
       " LU-65                                                           0   \n",
       " SHP-77                                                          1   \n",
       " HCC1187                                                         0   \n",
       " HCC2157                                                         0   \n",
       " HCC2218                                                         0   \n",
       " BB49-HNC                                                        0   \n",
       " CPC-N                                                           1   \n",
       " EC-GI-10                                                        0   \n",
       " IM-9                                                            0   \n",
       " IST-SL1                                                         1   \n",
       " LB831-BLC                                                       0   \n",
       " LU-134-A                                                        1   \n",
       " MS-1                                                            1   \n",
       " MZ7-mel                                                         0   \n",
       " NCI-H510A                                                       1   \n",
       " SK-MM-2                                                         0   \n",
       " TE-1                                                            0   \n",
       " ...                                                           ...   \n",
       " WSU-NHL                                                         0   \n",
       " RCC10RGB                                                        0   \n",
       " KURAMOCHI                                                       0   \n",
       " Ramos-2G6-4C10                                                  0   \n",
       " CW-2                                                            0   \n",
       " COLO-320-HSR                                                    0   \n",
       " COLO-684                                                        0   \n",
       " CA46                                                            0   \n",
       " RL                                                              0   \n",
       " SNU-C1                                                          0   \n",
       " ST486                                                           0   \n",
       " BC-1                                                            0   \n",
       " CAS-1                                                           0   \n",
       " MFM-223                                                         0   \n",
       " LS-1034                                                         0   \n",
       " HDLM-2                                                          0   \n",
       " KNS-81-FD                                                       0   \n",
       " TE-6                                                            0   \n",
       " TE-12                                                           0   \n",
       " D-263MG                                                         0   \n",
       " D-502MG                                                         0   \n",
       " EW-3                                                            0   \n",
       " EW-1                                                            0   \n",
       " EW-18                                                           0   \n",
       " EW-24                                                           0   \n",
       " LAN-6                                                           0   \n",
       " NB10                                                            0   \n",
       " NB6                                                             0   \n",
       " NB5                                                             0   \n",
       " NB14                                                            0   \n",
       " \n",
       "                              ...                 \\\n",
       " cell_line_id                 ...                  \n",
       " ES3                          ...                  \n",
       " ES5                          ...                  \n",
       " EW-11                        ...                  \n",
       " NCI-H1395                    ...                  \n",
       " NCI-H1770                    ...                  \n",
       " DMS-114                      ...                  \n",
       " NCI-H1092                    ...                  \n",
       " NCI-H2141                    ...                  \n",
       " NCI-H345                     ...                  \n",
       " NCI-H446                     ...                  \n",
       " NCI-H82                      ...                  \n",
       " SK-N-DZ                      ...                  \n",
       " Calu-6                       ...                  \n",
       " LU-65                        ...                  \n",
       " SHP-77                       ...                  \n",
       " HCC1187                      ...                  \n",
       " HCC2157                      ...                  \n",
       " HCC2218                      ...                  \n",
       " BB49-HNC                     ...                  \n",
       " CPC-N                        ...                  \n",
       " EC-GI-10                     ...                  \n",
       " IM-9                         ...                  \n",
       " IST-SL1                      ...                  \n",
       " LB831-BLC                    ...                  \n",
       " LU-134-A                     ...                  \n",
       " MS-1                         ...                  \n",
       " MZ7-mel                      ...                  \n",
       " NCI-H510A                    ...                  \n",
       " SK-MM-2                      ...                  \n",
       " TE-1                         ...                  \n",
       " ...                          ...                  \n",
       " WSU-NHL                      ...                  \n",
       " RCC10RGB                     ...                  \n",
       " KURAMOCHI                    ...                  \n",
       " Ramos-2G6-4C10               ...                  \n",
       " CW-2                         ...                  \n",
       " COLO-320-HSR                 ...                  \n",
       " COLO-684                     ...                  \n",
       " CA46                         ...                  \n",
       " RL                           ...                  \n",
       " SNU-C1                       ...                  \n",
       " ST486                        ...                  \n",
       " BC-1                         ...                  \n",
       " CAS-1                        ...                  \n",
       " MFM-223                      ...                  \n",
       " LS-1034                      ...                  \n",
       " HDLM-2                       ...                  \n",
       " KNS-81-FD                    ...                  \n",
       " TE-6                         ...                  \n",
       " TE-12                        ...                  \n",
       " D-263MG                      ...                  \n",
       " D-502MG                      ...                  \n",
       " EW-3                         ...                  \n",
       " EW-1                         ...                  \n",
       " EW-18                        ...                  \n",
       " EW-24                        ...                  \n",
       " LAN-6                        ...                  \n",
       " NB10                         ...                  \n",
       " NB6                          ...                  \n",
       " NB5                          ...                  \n",
       " NB14                         ...                  \n",
       " \n",
       "                 cell-line_sangerENSG00000264575  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           5   \n",
       " ES5                                           6   \n",
       " EW-11                                         5   \n",
       " NCI-H1395                                     4   \n",
       " NCI-H1770                                     6   \n",
       " DMS-114                                       5   \n",
       " NCI-H1092                                     6   \n",
       " NCI-H2141                                     7   \n",
       " NCI-H345                                      7   \n",
       " NCI-H446                                      5   \n",
       " NCI-H82                                       5   \n",
       " SK-N-DZ                                       6   \n",
       " Calu-6                                        4   \n",
       " LU-65                                         4   \n",
       " SHP-77                                        5   \n",
       " HCC1187                                       4   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       4   \n",
       " BB49-HNC                                      3   \n",
       " CPC-N                                         7   \n",
       " EC-GI-10                                      4   \n",
       " IM-9                                          5   \n",
       " IST-SL1                                       5   \n",
       " LB831-BLC                                     4   \n",
       " LU-134-A                                      6   \n",
       " MS-1                                          6   \n",
       " MZ7-mel                                       3   \n",
       " NCI-H510A                                     7   \n",
       " SK-MM-2                                       5   \n",
       " TE-1                                          5   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       6   \n",
       " RCC10RGB                                      3   \n",
       " KURAMOCHI                                     3   \n",
       " Ramos-2G6-4C10                                4   \n",
       " CW-2                                          5   \n",
       " COLO-320-HSR                                  6   \n",
       " COLO-684                                      3   \n",
       " CA46                                          4   \n",
       " RL                                            3   \n",
       " SNU-C1                                        5   \n",
       " ST486                                         5   \n",
       " BC-1                                          5   \n",
       " CAS-1                                         5   \n",
       " MFM-223                                       3   \n",
       " LS-1034                                       7   \n",
       " HDLM-2                                        3   \n",
       " KNS-81-FD                                     4   \n",
       " TE-6                                          4   \n",
       " TE-12                                         4   \n",
       " D-263MG                                       4   \n",
       " D-502MG                                       4   \n",
       " EW-3                                          5   \n",
       " EW-1                                          5   \n",
       " EW-18                                         6   \n",
       " EW-24                                         6   \n",
       " LAN-6                                         5   \n",
       " NB10                                          6   \n",
       " NB6                                           5   \n",
       " NB5                                           5   \n",
       " NB14                                          7   \n",
       " \n",
       "                 cell-line_sangerENSG00000265060  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           3   \n",
       " ES5                                           3   \n",
       " EW-11                                         2   \n",
       " NCI-H1395                                     2   \n",
       " NCI-H1770                                     2   \n",
       " DMS-114                                       3   \n",
       " NCI-H1092                                     3   \n",
       " NCI-H2141                                     2   \n",
       " NCI-H345                                      3   \n",
       " NCI-H446                                      2   \n",
       " NCI-H82                                       3   \n",
       " SK-N-DZ                                       3   \n",
       " Calu-6                                        2   \n",
       " LU-65                                         3   \n",
       " SHP-77                                        3   \n",
       " HCC1187                                       3   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       3   \n",
       " BB49-HNC                                      3   \n",
       " CPC-N                                         3   \n",
       " EC-GI-10                                      3   \n",
       " IM-9                                          2   \n",
       " IST-SL1                                       3   \n",
       " LB831-BLC                                     2   \n",
       " LU-134-A                                      2   \n",
       " MS-1                                          3   \n",
       " MZ7-mel                                       3   \n",
       " NCI-H510A                                     3   \n",
       " SK-MM-2                                       3   \n",
       " TE-1                                          2   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       3   \n",
       " RCC10RGB                                      3   \n",
       " KURAMOCHI                                     3   \n",
       " Ramos-2G6-4C10                                3   \n",
       " CW-2                                          2   \n",
       " COLO-320-HSR                                  2   \n",
       " COLO-684                                      3   \n",
       " CA46                                          3   \n",
       " RL                                            3   \n",
       " SNU-C1                                        3   \n",
       " ST486                                         3   \n",
       " BC-1                                          3   \n",
       " CAS-1                                         2   \n",
       " MFM-223                                       2   \n",
       " LS-1034                                       3   \n",
       " HDLM-2                                        3   \n",
       " KNS-81-FD                                     2   \n",
       " TE-6                                          3   \n",
       " TE-12                                         3   \n",
       " D-263MG                                       3   \n",
       " D-502MG                                       2   \n",
       " EW-3                                          3   \n",
       " EW-1                                          3   \n",
       " EW-18                                         3   \n",
       " EW-24                                         3   \n",
       " LAN-6                                         2   \n",
       " NB10                                          3   \n",
       " NB6                                           3   \n",
       " NB5                                           3   \n",
       " NB14                                          3   \n",
       " \n",
       "                 cell-line_sangerENSG00000265246  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           3   \n",
       " ES5                                           3   \n",
       " EW-11                                         2   \n",
       " NCI-H1395                                     2   \n",
       " NCI-H1770                                     3   \n",
       " DMS-114                                       3   \n",
       " NCI-H1092                                     3   \n",
       " NCI-H2141                                     3   \n",
       " NCI-H345                                      3   \n",
       " NCI-H446                                      2   \n",
       " NCI-H82                                       3   \n",
       " SK-N-DZ                                       3   \n",
       " Calu-6                                        3   \n",
       " LU-65                                         3   \n",
       " SHP-77                                        3   \n",
       " HCC1187                                       3   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       3   \n",
       " BB49-HNC                                      3   \n",
       " CPC-N                                         3   \n",
       " EC-GI-10                                      2   \n",
       " IM-9                                          3   \n",
       " IST-SL1                                       3   \n",
       " LB831-BLC                                     3   \n",
       " LU-134-A                                      2   \n",
       " MS-1                                          3   \n",
       " MZ7-mel                                       2   \n",
       " NCI-H510A                                     2   \n",
       " SK-MM-2                                       3   \n",
       " TE-1                                          3   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       3   \n",
       " RCC10RGB                                      3   \n",
       " KURAMOCHI                                     3   \n",
       " Ramos-2G6-4C10                                3   \n",
       " CW-2                                          3   \n",
       " COLO-320-HSR                                  3   \n",
       " COLO-684                                      3   \n",
       " CA46                                          3   \n",
       " RL                                            3   \n",
       " SNU-C1                                        3   \n",
       " ST486                                         3   \n",
       " BC-1                                          3   \n",
       " CAS-1                                         2   \n",
       " MFM-223                                       3   \n",
       " LS-1034                                       3   \n",
       " HDLM-2                                        3   \n",
       " KNS-81-FD                                     2   \n",
       " TE-6                                          3   \n",
       " TE-12                                         3   \n",
       " D-263MG                                       3   \n",
       " D-502MG                                       3   \n",
       " EW-3                                          3   \n",
       " EW-1                                          3   \n",
       " EW-18                                         2   \n",
       " EW-24                                         3   \n",
       " LAN-6                                         3   \n",
       " NB10                                          3   \n",
       " NB6                                           3   \n",
       " NB5                                           2   \n",
       " NB14                                          3   \n",
       " \n",
       "                 cell-line_sangerENSG00000265298  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           8   \n",
       " ES5                                           8   \n",
       " EW-11                                         8   \n",
       " NCI-H1395                                     8   \n",
       " NCI-H1770                                     8   \n",
       " DMS-114                                       8   \n",
       " NCI-H1092                                     9   \n",
       " NCI-H2141                                     8   \n",
       " NCI-H345                                      9   \n",
       " NCI-H446                                      9   \n",
       " NCI-H82                                       9   \n",
       " SK-N-DZ                                      10   \n",
       " Calu-6                                        8   \n",
       " LU-65                                         8   \n",
       " SHP-77                                        8   \n",
       " HCC1187                                       8   \n",
       " HCC2157                                       8   \n",
       " HCC2218                                       8   \n",
       " BB49-HNC                                      7   \n",
       " CPC-N                                         8   \n",
       " EC-GI-10                                      8   \n",
       " IM-9                                          8   \n",
       " IST-SL1                                       8   \n",
       " LB831-BLC                                     8   \n",
       " LU-134-A                                      8   \n",
       " MS-1                                          8   \n",
       " MZ7-mel                                       7   \n",
       " NCI-H510A                                     8   \n",
       " SK-MM-2                                       8   \n",
       " TE-1                                          7   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       8   \n",
       " RCC10RGB                                      8   \n",
       " KURAMOCHI                                     7   \n",
       " Ramos-2G6-4C10                                8   \n",
       " CW-2                                          7   \n",
       " COLO-320-HSR                                  8   \n",
       " COLO-684                                      8   \n",
       " CA46                                          8   \n",
       " RL                                            8   \n",
       " SNU-C1                                        8   \n",
       " ST486                                         8   \n",
       " BC-1                                          8   \n",
       " CAS-1                                         7   \n",
       " MFM-223                                       7   \n",
       " LS-1034                                       8   \n",
       " HDLM-2                                        8   \n",
       " KNS-81-FD                                     8   \n",
       " TE-6                                          7   \n",
       " TE-12                                         8   \n",
       " D-263MG                                       8   \n",
       " D-502MG                                       8   \n",
       " EW-3                                          8   \n",
       " EW-1                                          8   \n",
       " EW-18                                         8   \n",
       " EW-24                                         8   \n",
       " LAN-6                                         9   \n",
       " NB10                                          9   \n",
       " NB6                                           8   \n",
       " NB5                                           9   \n",
       " NB14                                          8   \n",
       " \n",
       "                 cell-line_sangerENSG00000265480  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           3   \n",
       " ES5                                           3   \n",
       " EW-11                                         3   \n",
       " NCI-H1395                                     3   \n",
       " NCI-H1770                                     3   \n",
       " DMS-114                                       2   \n",
       " NCI-H1092                                     3   \n",
       " NCI-H2141                                     3   \n",
       " NCI-H345                                      3   \n",
       " NCI-H446                                      3   \n",
       " NCI-H82                                       3   \n",
       " SK-N-DZ                                       3   \n",
       " Calu-6                                        3   \n",
       " LU-65                                         3   \n",
       " SHP-77                                        3   \n",
       " HCC1187                                       3   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       3   \n",
       " BB49-HNC                                      3   \n",
       " CPC-N                                         3   \n",
       " EC-GI-10                                      3   \n",
       " IM-9                                          3   \n",
       " IST-SL1                                       2   \n",
       " LB831-BLC                                     3   \n",
       " LU-134-A                                      3   \n",
       " MS-1                                          3   \n",
       " MZ7-mel                                       3   \n",
       " NCI-H510A                                     3   \n",
       " SK-MM-2                                       3   \n",
       " TE-1                                          3   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       3   \n",
       " RCC10RGB                                      3   \n",
       " KURAMOCHI                                     3   \n",
       " Ramos-2G6-4C10                                3   \n",
       " CW-2                                          3   \n",
       " COLO-320-HSR                                  3   \n",
       " COLO-684                                      3   \n",
       " CA46                                          3   \n",
       " RL                                            3   \n",
       " SNU-C1                                        3   \n",
       " ST486                                         3   \n",
       " BC-1                                          3   \n",
       " CAS-1                                         3   \n",
       " MFM-223                                       3   \n",
       " LS-1034                                       3   \n",
       " HDLM-2                                        2   \n",
       " KNS-81-FD                                     3   \n",
       " TE-6                                          3   \n",
       " TE-12                                         3   \n",
       " D-263MG                                       3   \n",
       " D-502MG                                       3   \n",
       " EW-3                                          3   \n",
       " EW-1                                          3   \n",
       " EW-18                                         3   \n",
       " EW-24                                         3   \n",
       " LAN-6                                         3   \n",
       " NB10                                          3   \n",
       " NB6                                           3   \n",
       " NB5                                           3   \n",
       " NB14                                          3   \n",
       " \n",
       "                 cell-line_sangerENSG00000265929  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           2   \n",
       " ES5                                           3   \n",
       " EW-11                                         3   \n",
       " NCI-H1395                                     2   \n",
       " NCI-H1770                                     3   \n",
       " DMS-114                                       2   \n",
       " NCI-H1092                                     3   \n",
       " NCI-H2141                                     3   \n",
       " NCI-H345                                      3   \n",
       " NCI-H446                                      2   \n",
       " NCI-H82                                       3   \n",
       " SK-N-DZ                                       2   \n",
       " Calu-6                                        2   \n",
       " LU-65                                         3   \n",
       " SHP-77                                        3   \n",
       " HCC1187                                       2   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       3   \n",
       " BB49-HNC                                      2   \n",
       " CPC-N                                         3   \n",
       " EC-GI-10                                      3   \n",
       " IM-9                                          2   \n",
       " IST-SL1                                       3   \n",
       " LB831-BLC                                     2   \n",
       " LU-134-A                                      3   \n",
       " MS-1                                          3   \n",
       " MZ7-mel                                       3   \n",
       " NCI-H510A                                     3   \n",
       " SK-MM-2                                       3   \n",
       " TE-1                                          3   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       8   \n",
       " RCC10RGB                                      3   \n",
       " KURAMOCHI                                     3   \n",
       " Ramos-2G6-4C10                                6   \n",
       " CW-2                                          2   \n",
       " COLO-320-HSR                                  3   \n",
       " COLO-684                                      2   \n",
       " CA46                                          8   \n",
       " RL                                            6   \n",
       " SNU-C1                                        3   \n",
       " ST486                                         8   \n",
       " BC-1                                          3   \n",
       " CAS-1                                         2   \n",
       " MFM-223                                       2   \n",
       " LS-1034                                       3   \n",
       " HDLM-2                                        2   \n",
       " KNS-81-FD                                     3   \n",
       " TE-6                                          3   \n",
       " TE-12                                         3   \n",
       " D-263MG                                       2   \n",
       " D-502MG                                       3   \n",
       " EW-3                                          3   \n",
       " EW-1                                          2   \n",
       " EW-18                                         3   \n",
       " EW-24                                         3   \n",
       " LAN-6                                         3   \n",
       " NB10                                          2   \n",
       " NB6                                           2   \n",
       " NB5                                           3   \n",
       " NB14                                          3   \n",
       " \n",
       "                 cell-line_sangerENSG00000266066  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           3   \n",
       " ES5                                           2   \n",
       " EW-11                                         3   \n",
       " NCI-H1395                                     2   \n",
       " NCI-H1770                                     3   \n",
       " DMS-114                                       3   \n",
       " NCI-H1092                                     3   \n",
       " NCI-H2141                                     3   \n",
       " NCI-H345                                      2   \n",
       " NCI-H446                                      2   \n",
       " NCI-H82                                       3   \n",
       " SK-N-DZ                                       3   \n",
       " Calu-6                                        3   \n",
       " LU-65                                         3   \n",
       " SHP-77                                        3   \n",
       " HCC1187                                       2   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       3   \n",
       " BB49-HNC                                      3   \n",
       " CPC-N                                         3   \n",
       " EC-GI-10                                      2   \n",
       " IM-9                                          3   \n",
       " IST-SL1                                       3   \n",
       " LB831-BLC                                     2   \n",
       " LU-134-A                                      3   \n",
       " MS-1                                          3   \n",
       " MZ7-mel                                       3   \n",
       " NCI-H510A                                     2   \n",
       " SK-MM-2                                       3   \n",
       " TE-1                                          2   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       3   \n",
       " RCC10RGB                                      2   \n",
       " KURAMOCHI                                     2   \n",
       " Ramos-2G6-4C10                                3   \n",
       " CW-2                                          2   \n",
       " COLO-320-HSR                                  3   \n",
       " COLO-684                                      3   \n",
       " CA46                                          3   \n",
       " RL                                            2   \n",
       " SNU-C1                                        3   \n",
       " ST486                                         3   \n",
       " BC-1                                          3   \n",
       " CAS-1                                         2   \n",
       " MFM-223                                       3   \n",
       " LS-1034                                       3   \n",
       " HDLM-2                                        3   \n",
       " KNS-81-FD                                     2   \n",
       " TE-6                                          3   \n",
       " TE-12                                         2   \n",
       " D-263MG                                       3   \n",
       " D-502MG                                       2   \n",
       " EW-3                                          3   \n",
       " EW-1                                          2   \n",
       " EW-18                                         3   \n",
       " EW-24                                         3   \n",
       " LAN-6                                         3   \n",
       " NB10                                          3   \n",
       " NB6                                           2   \n",
       " NB5                                           2   \n",
       " NB14                                          3   \n",
       " \n",
       "                 cell-line_sangerENSG00000266282  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           9   \n",
       " ES5                                           8   \n",
       " EW-11                                         9   \n",
       " NCI-H1395                                     9   \n",
       " NCI-H1770                                     9   \n",
       " DMS-114                                       9   \n",
       " NCI-H1092                                     9   \n",
       " NCI-H2141                                     9   \n",
       " NCI-H345                                     10   \n",
       " NCI-H446                                      9   \n",
       " NCI-H82                                       8   \n",
       " SK-N-DZ                                       8   \n",
       " Calu-6                                       10   \n",
       " LU-65                                         8   \n",
       " SHP-77                                        8   \n",
       " HCC1187                                       9   \n",
       " HCC2157                                       9   \n",
       " HCC2218                                       9   \n",
       " BB49-HNC                                      8   \n",
       " CPC-N                                         9   \n",
       " EC-GI-10                                      8   \n",
       " IM-9                                          8   \n",
       " IST-SL1                                       9   \n",
       " LB831-BLC                                     9   \n",
       " LU-134-A                                      9   \n",
       " MS-1                                          9   \n",
       " MZ7-mel                                       8   \n",
       " NCI-H510A                                     9   \n",
       " SK-MM-2                                       9   \n",
       " TE-1                                          9   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       9   \n",
       " RCC10RGB                                      8   \n",
       " KURAMOCHI                                     9   \n",
       " Ramos-2G6-4C10                               10   \n",
       " CW-2                                          8   \n",
       " COLO-320-HSR                                  8   \n",
       " COLO-684                                      8   \n",
       " CA46                                          8   \n",
       " RL                                            9   \n",
       " SNU-C1                                        8   \n",
       " ST486                                         9   \n",
       " BC-1                                          9   \n",
       " CAS-1                                         9   \n",
       " MFM-223                                       9   \n",
       " LS-1034                                       9   \n",
       " HDLM-2                                        9   \n",
       " KNS-81-FD                                     9   \n",
       " TE-6                                          8   \n",
       " TE-12                                         9   \n",
       " D-263MG                                      10   \n",
       " D-502MG                                       9   \n",
       " EW-3                                          7   \n",
       " EW-1                                          8   \n",
       " EW-18                                         8   \n",
       " EW-24                                         8   \n",
       " LAN-6                                        10   \n",
       " NB10                                          8   \n",
       " NB6                                           9   \n",
       " NB5                                           9   \n",
       " NB14                                          9   \n",
       " \n",
       "                 cell-line_sangerENSG00000266433  \\\n",
       " cell_line_id                                      \n",
       " ES3                                           3   \n",
       " ES5                                           3   \n",
       " EW-11                                         3   \n",
       " NCI-H1395                                     3   \n",
       " NCI-H1770                                     3   \n",
       " DMS-114                                       3   \n",
       " NCI-H1092                                     3   \n",
       " NCI-H2141                                     3   \n",
       " NCI-H345                                      3   \n",
       " NCI-H446                                      3   \n",
       " NCI-H82                                       3   \n",
       " SK-N-DZ                                       3   \n",
       " Calu-6                                        3   \n",
       " LU-65                                         3   \n",
       " SHP-77                                        3   \n",
       " HCC1187                                       3   \n",
       " HCC2157                                       3   \n",
       " HCC2218                                       3   \n",
       " BB49-HNC                                      3   \n",
       " CPC-N                                         3   \n",
       " EC-GI-10                                      3   \n",
       " IM-9                                          3   \n",
       " IST-SL1                                       3   \n",
       " LB831-BLC                                     3   \n",
       " LU-134-A                                      3   \n",
       " MS-1                                          3   \n",
       " MZ7-mel                                       3   \n",
       " NCI-H510A                                     3   \n",
       " SK-MM-2                                       3   \n",
       " TE-1                                          3   \n",
       " ...                                         ...   \n",
       " WSU-NHL                                       3   \n",
       " RCC10RGB                                      3   \n",
       " KURAMOCHI                                     3   \n",
       " Ramos-2G6-4C10                                3   \n",
       " CW-2                                          3   \n",
       " COLO-320-HSR                                  3   \n",
       " COLO-684                                      3   \n",
       " CA46                                          3   \n",
       " RL                                            3   \n",
       " SNU-C1                                        3   \n",
       " ST486                                         3   \n",
       " BC-1                                          3   \n",
       " CAS-1                                         3   \n",
       " MFM-223                                       3   \n",
       " LS-1034                                       3   \n",
       " HDLM-2                                        3   \n",
       " KNS-81-FD                                     3   \n",
       " TE-6                                          3   \n",
       " TE-12                                         3   \n",
       " D-263MG                                       3   \n",
       " D-502MG                                       3   \n",
       " EW-3                                          3   \n",
       " EW-1                                          3   \n",
       " EW-18                                         3   \n",
       " EW-24                                         3   \n",
       " LAN-6                                         3   \n",
       " NB10                                          3   \n",
       " NB6                                           3   \n",
       " NB5                                           3   \n",
       " NB14                                          3   \n",
       " \n",
       "                 cell-line_sangerENSG00000266753  \n",
       " cell_line_id                                     \n",
       " ES3                                           8  \n",
       " ES5                                           8  \n",
       " EW-11                                         7  \n",
       " NCI-H1395                                     6  \n",
       " NCI-H1770                                     6  \n",
       " DMS-114                                       8  \n",
       " NCI-H1092                                     7  \n",
       " NCI-H2141                                     8  \n",
       " NCI-H345                                      8  \n",
       " NCI-H446                                      7  \n",
       " NCI-H82                                       8  \n",
       " SK-N-DZ                                       8  \n",
       " Calu-6                                        7  \n",
       " LU-65                                         7  \n",
       " SHP-77                                        8  \n",
       " HCC1187                                       7  \n",
       " HCC2157                                       7  \n",
       " HCC2218                                       6  \n",
       " BB49-HNC                                      8  \n",
       " CPC-N                                         8  \n",
       " EC-GI-10                                      7  \n",
       " IM-9                                          7  \n",
       " IST-SL1                                       8  \n",
       " LB831-BLC                                     7  \n",
       " LU-134-A                                      7  \n",
       " MS-1                                          7  \n",
       " MZ7-mel                                       6  \n",
       " NCI-H510A                                     8  \n",
       " SK-MM-2                                       8  \n",
       " TE-1                                          7  \n",
       " ...                                         ...  \n",
       " WSU-NHL                                       7  \n",
       " RCC10RGB                                      7  \n",
       " KURAMOCHI                                     6  \n",
       " Ramos-2G6-4C10                                7  \n",
       " CW-2                                          7  \n",
       " COLO-320-HSR                                  8  \n",
       " COLO-684                                      8  \n",
       " CA46                                          8  \n",
       " RL                                            8  \n",
       " SNU-C1                                        7  \n",
       " ST486                                         7  \n",
       " BC-1                                          8  \n",
       " CAS-1                                         8  \n",
       " MFM-223                                       6  \n",
       " LS-1034                                       7  \n",
       " HDLM-2                                        8  \n",
       " KNS-81-FD                                     8  \n",
       " TE-6                                         10  \n",
       " TE-12                                         6  \n",
       " D-263MG                                       7  \n",
       " D-502MG                                       7  \n",
       " EW-3                                          8  \n",
       " EW-1                                          7  \n",
       " EW-18                                         7  \n",
       " EW-24                                         8  \n",
       " LAN-6                                         8  \n",
       " NB10                                          7  \n",
       " NB6                                           8  \n",
       " NB5                                           7  \n",
       " NB14                                          7  \n",
       " \n",
       " [124 rows x 36994 columns],\n",
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       " 'column': 'cell-line_sangerENSG00000266753',\n",
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       "   '216239',\n",
       "   ...]},\n",
       " 'data':                ES3       ES5     EW-11  NCI-H1395  NCI-H1770   DMS-114  \\\n",
       " drug_id                                                                  \n",
       " 176870    5.457453  6.177945  3.954488   5.429563   6.239001  6.439408   \n",
       " 5284616   2.712723  2.713280  0.083814   0.926814   2.125850 -1.892659   \n",
       " 5329102   3.624351  3.208216  3.540163   6.187608   2.676693  4.345598   \n",
       " 10461815  5.741999  2.671871  5.191223   2.379769   4.042987  5.904581   \n",
       " 462382    1.465161  1.482183  2.443964   4.074435   5.051646  0.368378   \n",
       " 36314     2.230729  2.062629  2.456970   1.610128   2.911541 -3.688091   \n",
       " 442972    6.262880  7.901639  6.841940   5.192934   4.689366  6.962380   \n",
       " 11676786  3.840777  2.634967  1.836697   4.547153   5.440164  3.831238   \n",
       " 216239    2.934077  4.127530  6.831892   3.838928   5.437241  2.355562   \n",
       " 5494449   3.602096  5.346999  5.729100   5.477718   2.186349  4.868544   \n",
       " 5291      5.337817  4.215039  5.822416   3.947071   1.717865  6.237985   \n",
       " 16038120  4.674520  3.405319  2.267368   1.036778   3.346738  0.961355   \n",
       " 11496366  5.924602  6.253164  4.698552   4.675106   5.708927  5.353218   \n",
       " 10302451  2.860227  6.389974  5.413987   4.641152   5.920998  5.477196   \n",
       " 76044     5.345504  6.007588  6.035437   2.306003   2.754991  1.181406   \n",
       " 16760646  2.750826  2.494072  5.852555   3.579228   3.399192  5.536588   \n",
       " 3062316   4.078735  5.701991  4.777730   3.738057   4.339664  4.295439   \n",
       " 5311510   2.858726  5.833998  4.818600   5.292979   5.736564  5.548083   \n",
       " 644215   -0.045722  0.628669  1.791496  -1.290847  -1.187067 -0.666328   \n",
       " 24825971  2.556418  6.422752  5.224450   5.089995   1.626116  4.932276   \n",
       " 9549184   6.102112  6.967883  5.068808   2.590619   5.335362  6.140627   \n",
       " 11844351  5.143049  6.383421  6.516894   4.836352   6.582229  1.026119   \n",
       " 49821040  6.076867  7.726779  7.382650   6.755815   7.805116  6.024787   \n",
       " 11364421  2.638894  3.080401  4.019169   0.101385   1.897476 -2.586503   \n",
       " 10390396  4.348722  6.146188  6.313170   6.747982   2.453080  1.719837   \n",
       " 20635522  2.186483  3.882340  2.389910   5.855510   4.267952  3.480206   \n",
       " 4993      5.166096  7.883980  7.859141   5.475670   7.447522  4.070601   \n",
       " 49836027  3.899734  2.253695  3.189317   2.507146   0.284641 -1.427422   \n",
       " 10172943  1.244741  2.081055  5.327523   4.329033   5.358756 -0.016805   \n",
       " 15983966  3.021673  4.944419  4.129560   0.053222  -0.816280 -2.106796   \n",
       " ...            ...       ...       ...        ...        ...       ...   \n",
       " 11960529  5.683549  4.305218  5.348367   5.416088   6.224812  6.010940   \n",
       " 5328940   3.878526  0.624584  1.145104   3.104169   5.495732  5.574144   \n",
       " 216326    3.122202  5.673848  4.459377   5.795685   5.982549  6.006429   \n",
       " 6450551   2.922531  0.159125  1.289293   4.282659   4.280930  0.979621   \n",
       " 126565   -2.082146 -4.105555 -2.022476  -1.268014   0.423532  0.417860   \n",
       " 6505803  -0.525536  1.633988  3.968306  -1.677600  -0.639987  1.514447   \n",
       " 10341154  4.839934  3.589065  3.007883   4.406614   4.642372  5.482972   \n",
       " 11667893  3.225935  3.423937  4.540733   5.699898   5.241725  3.983784   \n",
       " 5278396   4.047392  4.495346  6.917073   4.010761   6.930248  6.022198   \n",
       " 10184653  2.828106  1.576343  2.216649   3.028667   3.896277  3.709598   \n",
       " 24776445  6.176463  4.529101  3.126855   6.820092   6.926870  6.738021   \n",
       " 24180719  4.863117  1.816328  5.764284   5.982259   6.411098  6.380521   \n",
       " 10077147  0.964262  0.176920  2.347783   2.297945   2.159361  2.521826   \n",
       " 11327430  4.075888  2.575329  4.122000   3.528709   5.440606  2.729755   \n",
       " 156422    6.270331  5.064372  5.914983   4.696624   6.741191  5.388570   \n",
       " 11624601  3.642703  6.392269  6.234337   7.029000   6.744473  6.245762   \n",
       " 10384072  3.156625  1.256022  2.453857   4.540692   5.053123  4.994856   \n",
       " 11433190  2.684867  4.223113  6.556386   6.619402   6.283072  7.162875   \n",
       " 1401      4.610518  1.344527  4.840732   4.403492   5.083817  0.312886   \n",
       " 9914412  -0.748240  0.002473  4.977950   3.857583   2.005240  5.843849   \n",
       " 44450571  2.211340  4.880847  6.279265   4.248338   6.359012  3.310418   \n",
       " 5330286  -0.316171 -0.283954  1.509023   5.053014   6.310274  4.406203   \n",
       " 17755052  3.413564 -2.991458  2.480513   3.324435   2.292877  1.444307   \n",
       " 9826528   2.875741  2.342638  2.534454   0.045125   3.161442  0.828878   \n",
       " 11316960  6.179703  4.311074  5.878736   5.984420   6.388039  5.864240   \n",
       " 10127622  1.545801  3.314183  6.201988   4.933526   5.791245  6.302363   \n",
       " 46883536  3.487370  4.679426  2.700231   4.447440   5.940386  5.732116   \n",
       " 11609586  2.468481  2.981479  3.097402   3.322574   6.868157  4.042837   \n",
       " 11455910 -1.025733 -0.122957 -0.834322  -0.491186  -1.309782 -2.400113   \n",
       " 9931953   1.246618  1.780458  0.812216   2.443202   6.295548  5.771774   \n",
       " \n",
       "           NCI-H1092  NCI-H2141  NCI-H345  NCI-H446    ...      D-502MG  \\\n",
       " drug_id                                               ...                \n",
       " 176870     5.322913   5.481543  5.701747  5.829406    ...     2.853407   \n",
       " 5284616    1.661186   1.155157 -0.058457  0.278546    ...     1.145465   \n",
       " 5329102    5.835351   3.639802  5.687395  3.313991    ...     6.892013   \n",
       " 10461815   5.305583   4.700236  6.133696  6.221338    ...     4.200647   \n",
       " 462382    -0.945622   0.514722  3.047581  4.602755    ...     0.514084   \n",
       " 36314      0.267879  -2.513281 -1.776183 -3.857458    ...     1.053631   \n",
       " 442972     8.059654   7.905122  7.664581  6.864623    ...     3.944047   \n",
       " 11676786   3.769191   5.354976  7.074614  6.781506    ...     0.815994   \n",
       " 216239     5.406161   2.784330  5.354602  6.159637    ...     4.545320   \n",
       " 5494449    4.197522   4.017509  3.880903  3.942056    ...     5.228564   \n",
       " 5291       4.431051   5.288382  6.018588  5.891683    ...     4.912112   \n",
       " 16038120   2.081607   1.637575  2.443206  4.727257    ...     4.092738   \n",
       " 11496366   5.444895   4.611212  4.717657  5.920815    ...     4.708966   \n",
       " 10302451   4.712901   4.015363  6.042795  5.152341    ...     4.641850   \n",
       " 76044      3.022778   1.471682  2.071927  0.951191    ...     5.589781   \n",
       " 16760646   0.459749   2.973586  5.507376  3.994693    ...     5.002047   \n",
       " 3062316    4.898917   3.209851  4.816569 -0.465847    ...     0.210066   \n",
       " 5311510    3.929057   5.120549  4.691522  5.217490    ...     4.873181   \n",
       " 644215    -2.222384  -2.283975  0.772660  0.789477    ...     0.618983   \n",
       " 24825971   6.232089   3.888698  6.589912  6.437845    ...     5.126632   \n",
       " 9549184    6.029098   3.488897  6.214220  6.786771    ...     5.259058   \n",
       " 11844351   5.315626   5.783885  4.942131  2.649070    ...     4.799909   \n",
       " 49821040   6.352278   5.542833  7.400490  6.656297    ...     6.148649   \n",
       " 11364421   0.566345  -1.660166 -1.435280 -2.357924    ...     2.077390   \n",
       " 10390396   4.113632   3.300396  3.763715  7.265668    ...     4.321355   \n",
       " 20635522   3.247356   3.806186  7.862416  8.026635    ...     6.646773   \n",
       " 4993       6.550599   7.367777  6.987707  9.440488    ...     6.174442   \n",
       " 49836027   1.083139   0.176466  0.962813 -1.778365    ...     3.782435   \n",
       " 10172943  -0.063587  -0.616792 -0.287250 -0.929038    ...     1.187738   \n",
       " 15983966   0.615709  -1.841517 -1.097197 -4.426513    ...     2.326680   \n",
       " ...             ...        ...       ...       ...    ...          ...   \n",
       " 11960529   6.168458   6.606545  6.439538  6.490016    ...     5.901723   \n",
       " 5328940    5.787172   5.007210  5.576062  5.554359    ...     1.999414   \n",
       " 216326     6.433115   6.541348  6.155639  6.360811    ...     4.963808   \n",
       " 6450551    5.584058   4.985454  5.250250  1.351358    ...     1.838733   \n",
       " 126565     1.776061   1.426202  2.369733 -0.328386    ...    -0.888498   \n",
       " 6505803    4.039580   3.368856  3.636540  4.463196    ...     3.127904   \n",
       " 10341154   3.875990   5.629601  5.489417  4.740784    ...     4.677631   \n",
       " 11667893   5.498988   5.052387  4.845417  4.755961    ...     3.819904   \n",
       " 5278396    7.141449   6.677504  7.266747  6.602751    ...     5.558615   \n",
       " 10184653   3.725827   3.992132  3.918417  4.285926    ...     2.115390   \n",
       " 24776445   6.567106   7.151018  7.227604  5.036699    ...     6.821872   \n",
       " 24180719   6.625925   6.062776  6.109542  5.885714    ...     3.891159   \n",
       " 10077147   3.285498   2.920491  6.175110  2.256334    ...     1.835894   \n",
       " 11327430   5.514731   4.961287  5.544484  2.608854    ...     4.126876   \n",
       " 156422     6.435830   5.645205  6.748418  6.087085    ...     4.792388   \n",
       " 11624601   7.267811   6.900567  6.832558  7.188936    ...     5.849862   \n",
       " 10384072   5.317543   4.096865  4.774967  5.591334    ...     2.354314   \n",
       " 11433190   6.858920   4.873260  6.995324  6.821069    ...     1.089081   \n",
       " 1401       4.936584   5.411739  5.410276  3.194603    ...     3.346391   \n",
       " 9914412    6.057763   5.113857  5.643313  1.351146    ...     1.378712   \n",
       " 44450571   6.640961   6.350226  6.002792  6.040172    ...     3.900294   \n",
       " 5330286    6.323589   6.366640  6.398217  6.042497    ...     1.860004   \n",
       " 17755052   3.275176   3.026796  2.278926 -0.085905    ...     0.843554   \n",
       " 9826528    3.583805   3.404238  3.272355  3.346019    ...    -1.419873   \n",
       " 11316960   6.603216   6.478583  6.509114  6.313255    ...     2.957277   \n",
       " 10127622   5.924107   6.237617  5.708350  6.034364    ...     1.820766   \n",
       " 46883536   5.946962   5.832011  6.132978  4.883195    ...     2.701591   \n",
       " 11609586   3.915386   6.376999  6.009027  6.619592    ...     3.635295   \n",
       " 11455910  -0.099120  -0.679022  0.746377  0.742430    ...     1.593719   \n",
       " 9931953    6.036853   6.379037  6.375098  6.244091    ...     4.138311   \n",
       " \n",
       "               EW-3      EW-1     EW-18     EW-24     LAN-6      NB10  \\\n",
       " drug_id                                                                \n",
       " 176870    4.907507  3.862042  6.281844 -0.520144  5.284207  2.464594   \n",
       " 5284616   2.363574 -6.132267  1.956273  2.170812  2.116257  0.382757   \n",
       " 5329102   1.861296  1.543108  7.450205  6.305561  2.656457  7.379108   \n",
       " 10461815  4.961017  6.038975  3.709424  5.878941  5.791552  6.379263   \n",
       " 462382    4.552909 -1.558431  0.704762  3.476532 -1.161549  2.078887   \n",
       " 36314    -2.209074 -5.595654  1.951147 -2.735986  1.266350  3.450273   \n",
       " 442972    6.229268  6.147171  6.323129  7.327341  7.927056  6.089575   \n",
       " 11676786  1.769899  4.954149  2.502414  0.997667 -0.382198  3.782938   \n",
       " 216239    3.053480  5.073228  2.476909  2.782917  4.221937  3.926651   \n",
       " 5494449   2.620323  0.170270  6.462531  5.003229  4.840668  5.500566   \n",
       " 5291      5.310111  3.494853  3.880315  5.955108  6.285480  3.276010   \n",
       " 16038120  1.560768 -2.277299  3.252065  1.298649 -1.746236  0.453570   \n",
       " 11496366  5.497982  2.345889  5.388803  5.383014  2.931500  5.909705   \n",
       " 10302451  5.207449  5.159156  5.447730 -0.466917  4.973744  2.919153   \n",
       " 76044     1.592400  0.413721  7.218919  3.154823  1.305098  3.870451   \n",
       " 16760646  2.626498  1.433309  6.511248  3.723822  1.350476  4.939727   \n",
       " 3062316   4.517188  4.995126  5.801361 -0.246343  5.184950  5.352914   \n",
       " 5311510   5.192398  4.871301  5.939899  5.321265  5.466854  5.145785   \n",
       " 644215   -1.343815 -3.083062  2.704978  1.027847 -1.907018  0.111594   \n",
       " 24825971  6.324584  2.740650  6.568490  4.277519  5.704759  6.924701   \n",
       " 9549184   6.803529  5.981820  5.690450  3.270553  7.831552  7.337717   \n",
       " 11844351  4.231410  5.220739  7.307820  5.812862  5.057459  6.880506   \n",
       " 49821040  4.956919  5.881320  7.383467  1.523695  6.700624  7.745282   \n",
       " 11364421 -2.048497 -2.840946  4.247597 -0.083365 -1.152885  3.410138   \n",
       " 10390396  1.560359 -1.751832  4.536535  2.342079 -1.761946  3.282415   \n",
       " 20635522  2.148520  1.135812  6.607817  6.846458  1.986520  7.319852   \n",
       " 4993      5.502698  0.317060  5.806752  3.993994  5.857310  7.470861   \n",
       " 49836027 -1.527016 -4.894122  5.249339  0.435797  1.707899  0.792442   \n",
       " 10172943  0.107468 -1.507889  5.326627 -0.177820 -0.121295  1.853053   \n",
       " 15983966 -2.713409 -4.087139  4.172566  0.177178 -1.975958  1.391426   \n",
       " ...            ...       ...       ...       ...       ...       ...   \n",
       " 11960529  3.692212  5.304538  4.981526  5.266191  5.801910  5.357161   \n",
       " 5328940   1.961255  3.910189  2.255547  2.426689  5.609573  5.279878   \n",
       " 216326    5.927353  5.997094  3.869471  5.216401  6.135829  5.621627   \n",
       " 6450551   3.715895  1.510753  1.641951  3.578717  3.636486  0.281839   \n",
       " 126565   -0.084830  0.075484 -0.820722  1.563616  0.896512 -1.084717   \n",
       " 6505803   2.107907  3.772227  3.146968  3.852400  2.737052  0.125259   \n",
       " 10341154  4.316078  5.436961  2.602177  4.873713  5.470376  4.943404   \n",
       " 11667893  3.943630  2.859866  4.904784  4.387342  4.973785  0.854624   \n",
       " 5278396   7.169269  5.499052  3.815202  5.406605  7.036660  6.843498   \n",
       " 10184653  3.394566  3.827965  2.806362  3.164771  3.689160  3.101761   \n",
       " 24776445  5.235327  6.181789  3.310252  5.452315  7.098196  7.073850   \n",
       " 24180719  6.500161  5.506808  4.121076  5.807522  7.152838  6.922368   \n",
       " 10077147  2.817968  3.082500  1.201367  4.632461  6.288675  1.441665   \n",
       " 11327430  5.382167  3.524364  3.232616  4.577973  3.046405  3.267055   \n",
       " 156422    6.227857  6.291758  7.050382  6.554919  6.123599  6.691200   \n",
       " 11624601  6.914144  2.844231  7.055812  5.613861  6.708045  3.693197   \n",
       " 10384072  2.619950  2.211061  2.735793  4.562602  4.217780  3.651335   \n",
       " 11433190  4.720908  6.391790  4.717355  6.400036  2.484305  1.166164   \n",
       " 1401      5.106754  4.137981  3.976215  4.946276  5.275817  3.340374   \n",
       " 9914412   4.398155  3.587298  1.507198  5.779916  2.944887  1.970921   \n",
       " 44450571  4.887105  4.851317  5.201899  5.758217  5.679550  2.077888   \n",
       " 5330286   2.734451  2.281738  3.820208  6.240592  1.873375 -0.512192   \n",
       " 17755052 -0.174095  1.997412 -1.980787  2.821422  3.965373  1.653922   \n",
       " 9826528   2.687343  1.301819  2.884144  2.918667 -2.093607 -2.298407   \n",
       " 11316960  5.395433  5.948279  5.268499  6.017040  6.099297  5.950036   \n",
       " 10127622  4.678979  5.408225  3.819427  5.515387  1.039808  1.844562   \n",
       " 46883536  6.359273  5.424043  6.436164  5.381509  6.286841  5.228552   \n",
       " 11609586  3.382523  2.917035  4.425206  5.407765  2.655755  2.973188   \n",
       " 11455910  0.122178 -1.483677 -0.427251  1.821120 -1.833078 -1.538582   \n",
       " 9931953   3.409801  4.045058  3.775550  6.038505  3.864015  2.576201   \n",
       " \n",
       "                NB6       NB5      NB14  \n",
       " drug_id                                 \n",
       " 176870    3.128087  2.331174  5.788405  \n",
       " 5284616   1.157696  5.900698  1.412155  \n",
       " 5329102   4.617955  4.390978  2.391296  \n",
       " 10461815  5.592871  6.070821  2.972592  \n",
       " 462382    3.432384  4.253437  4.990988  \n",
       " 36314    -1.856457 -1.795945  2.055904  \n",
       " 442972    7.302904  8.251158  7.289493  \n",
       " 11676786  4.817854  0.669910 -0.706610  \n",
       " 216239    2.278322  5.885494  2.155399  \n",
       " 5494449  -0.258076  0.496093  5.372444  \n",
       " 5291      4.900965  5.767412  4.594319  \n",
       " 16038120  2.021414  0.460432 -0.824944  \n",
       " 11496366  5.368972  3.551155  1.575931  \n",
       " 10302451  3.313749  1.485833  4.082745  \n",
       " 76044     1.364751  2.859267  4.064081  \n",
       " 16760646  4.905872  2.108060  2.467049  \n",
       " 3062316   2.294814  0.335239  5.983951  \n",
       " 5311510   4.016846  5.854458  5.980599  \n",
       " 644215    0.843692  2.203509 -0.413826  \n",
       " 24825971  6.351617  6.933278  5.716638  \n",
       " 9549184   5.340784  2.486816  6.786110  \n",
       " 11844351  0.528852  5.646194  6.188467  \n",
       " 49821040  4.380176  5.176501  7.633546  \n",
       " 11364421 -1.683838 -1.866773  1.786973  \n",
       " 10390396  6.291796  0.104780  6.847403  \n",
       " 20635522  4.871396  2.807171  4.142461  \n",
       " 4993      7.233896  7.139622  3.052458  \n",
       " 49836027 -2.942993 -2.340776  5.157241  \n",
       " 10172943 -0.734500 -0.407789  0.677418  \n",
       " 15983966 -1.953810 -2.450524  2.538847  \n",
       " ...            ...       ...       ...  \n",
       " 11960529  6.292128  5.622409  6.196443  \n",
       " 5328940   3.445624  4.663958  2.859645  \n",
       " 216326    4.189473  6.441622  6.250331  \n",
       " 6450551   3.831052  4.943348 -0.302999  \n",
       " 126565   -0.066319 -0.753346 -4.939001  \n",
       " 6505803   3.474684  1.254731  2.780563  \n",
       " 10341154  4.329608  4.022665  5.355499  \n",
       " 11667893  5.300406  4.734032  2.638917  \n",
       " 5278396   6.558648  5.010736  3.490883  \n",
       " 10184653  4.263802  0.345838  4.158341  \n",
       " 24776445  7.196784  6.032335  7.045438  \n",
       " 24180719  5.263797  6.429824  6.391518  \n",
       " 10077147  1.006598  1.077441  0.250380  \n",
       " 11327430  5.406361  2.375453  1.695502  \n",
       " 156422    6.579294  7.277708  4.077675  \n",
       " 11624601  6.980673  5.827317  4.374883  \n",
       " 10384072  1.359812  3.494506  2.686497  \n",
       " 11433190  5.290392  1.881270  6.489096  \n",
       " 1401      4.928141  5.256207  5.292950  \n",
       " 9914412   2.138586  0.609055 -0.295429  \n",
       " 44450571  3.396646  5.987578  0.787787  \n",
       " 5330286   0.877027  2.595755 -1.186377  \n",
       " 17755052  4.143178 -0.044370  0.205165  \n",
       " 9826528   0.165697 -1.688156 -0.996696  \n",
       " 11316960  6.432919  5.086676  6.542188  \n",
       " 10127622  6.126838  0.942509  5.585778  \n",
       " 46883536  5.420118  3.197688  6.396768  \n",
       " 11609586  5.648437  4.662707  3.024360  \n",
       " 11455910  0.910633 -0.859536 -2.571121  \n",
       " 9931953   5.989073  2.151274  2.973298  \n",
       " \n",
       " [124 rows x 124 columns],\n",
       " 'df':               IC50  cell-line-info_GDSC_Tissue_descriptor_1_aero_dig_tract  \\\n",
       " 10027278  0.527579                                                 -1        \n",
       " 10027278  6.763997                                                  1        \n",
       " 10027278  0.981147                                                  0        \n",
       " 10027278  4.596983                                                  0        \n",
       " 10027278  2.647292                                                  0        \n",
       " 10027278  4.499792                                                  0        \n",
       " 10027278  1.540992                                                  0        \n",
       " 10027278  2.038106                                                  0        \n",
       " 10027278  3.885426                                                  0        \n",
       " 10027278  4.868985                                                  0        \n",
       " 10027278  6.929347                                                  0        \n",
       " 10027278  7.904067                                                  0        \n",
       " 10027278  5.329425                                                  0        \n",
       " 10027278  6.141732                                                  0        \n",
       " 10027278  4.985634                                                  0        \n",
       " 10027278  4.605954                                                  0        \n",
       " 10027278  2.617578                                                  0        \n",
       " 10027278  6.892238                                                  0        \n",
       " 10027278  2.165392                                                  0        \n",
       " 10027278  3.914260                                                  0        \n",
       " 10027278  1.949293                                                  0        \n",
       " 10027278  4.875366                                                  1        \n",
       " 10027278  2.689854                                                  0        \n",
       " 10027278  2.465922                                                  0        \n",
       " 10027278  1.099724                                                  0        \n",
       " 10027278  5.215525                                                  0        \n",
       " 10027278  1.274005                                                  0        \n",
       " 10027278  4.777209                                                  0        \n",
       " 10027278  3.036858                                                  0        \n",
       " 10027278  2.769136                                                  0        \n",
       " ...            ...                                                ...        \n",
       " 9956119   5.932150                                                  0        \n",
       " 9956119   5.841868                                                  0        \n",
       " 9956119   1.457403                                                  0        \n",
       " 9956119   3.142855                                                  0        \n",
       " 9956119   6.296081                                                  0        \n",
       " 9956119   5.824169                                                  0        \n",
       " 9956119   3.830281                                                  0        \n",
       " 9956119   5.189797                                                  0        \n",
       " 9956119   5.799896                                                  0        \n",
       " 9956119   5.688997                                                  0        \n",
       " 9956119   5.888710                                                  0        \n",
       " 9956119   3.433317                                                  0        \n",
       " 9956119   2.267727                                                  0        \n",
       " 9956119   5.180693                                                 -1        \n",
       " 9956119   3.898344                                                  0        \n",
       " 9956119   3.781170                                                  0        \n",
       " 9956119   2.655010                                                  0        \n",
       " 9956119   3.103951                                                  0        \n",
       " 9956119   3.351047                                                  0        \n",
       " 9956119   5.988183                                                  0        \n",
       " 9956119   5.279442                                                  1        \n",
       " 9956119   5.621991                                                  1        \n",
       " 9956119   4.492831                                                  1        \n",
       " 9956119   5.984577                                                  1        \n",
       " 9956119   3.559119                                                  0        \n",
       " 9956119   6.509249                                                  0        \n",
       " 9956119   4.594604                                                  0        \n",
       " 9956119   5.381876                                                  0        \n",
       " 9956119   4.718587                                                  0        \n",
       " 9956119   3.833046                                                  0        \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_bone  \\\n",
       " 10027278                                            -1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             1   \n",
       " 10027278                                             0   \n",
       " ...                                                ...   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              1   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                             -1   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_breast  \\\n",
       " 10027278                                              -1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " ...                                                  ...   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                               -1   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_digestive_system  \\\n",
       " 10027278                                                 -1          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  0          \n",
       " 10027278                                                  1          \n",
       " ...                                                     ...          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                  -1          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " 9956119                                                   0          \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_kidney  \\\n",
       " 10027278                                              -1   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " 10027278                                               0   \n",
       " ...                                                  ...   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                1   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                               -1   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                1   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " 9956119                                                0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_large_intestine  \\\n",
       " 10027278                                                 -1         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  1         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  1         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " 10027278                                                  0         \n",
       " ...                                                     ...         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                  -1         \n",
       " 9956119                                                   1         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " 9956119                                                   0         \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_leukemia  \\\n",
       " 10027278                                                -1   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " 10027278                                                 0   \n",
       " ...                                                    ...   \n",
       " 9956119                                                  1   \n",
       " 9956119                                                  1   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  1   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                 -1   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  1   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " 9956119                                                  0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_lung  \\\n",
       " 10027278                                            -1   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " 10027278                                             0   \n",
       " ...                                                ...   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                             -1   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " 9956119                                              0   \n",
       " \n",
       "           cell-line-info_GDSC_Tissue_descriptor_1_lung_NSCLC  ...    \\\n",
       " 10027278                                                 -1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  1   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " 10027278                                                  0   ...     \n",
       " ...                                                     ...   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                  -1   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " 9956119                                                   0   ...     \n",
       " \n",
       "           finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " ...                        ...                   ...                   ...   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " \n",
       "           finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " 10027278                 False                 False                 False   \n",
       " ...                        ...                   ...                   ...   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " 9956119                  False                 False                 False   \n",
       " \n",
       "           finger_circular_1024  real_num_atoms  real_num_bonds  smile  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " 10027278                 False             NaN             NaN    NaN  \n",
       " ...                        ...             ...             ...    ...  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " 9956119                  False             NaN             NaN    NaN  \n",
       " \n",
       " [15376 rows x 49129 columns],\n",
       " 'drug_df':             binary_is_connected  finger_standard_1  finger_standard_2  \\\n",
       " pubchem_id                                                              \n",
       " 176870                     True              False               True   \n",
       " 5284616                    True              False              False   \n",
       " 5329102                    True              False              False   \n",
       " 10461815                   True              False              False   \n",
       " 462382                     True              False              False   \n",
       " 36314                      True              False              False   \n",
       " 442972                     True              False              False   \n",
       " 11676786                   True              False              False   \n",
       " 216239                     True              False              False   \n",
       " 5494449                    True              False               True   \n",
       " 5291                       True              False               True   \n",
       " 16038120                   True              False               True   \n",
       " 11496366                   True              False              False   \n",
       " 10302451                   True              False               True   \n",
       " 76044                      True               True              False   \n",
       " 16760646                   True              False              False   \n",
       " 3062316                    True              False               True   \n",
       " 5311510                    True              False               True   \n",
       " 644215                     True              False               True   \n",
       " 24825971                   True              False               True   \n",
       " 9549184                    True              False               True   \n",
       " 11844351                   True              False               True   \n",
       " 49821040                   True              False               True   \n",
       " 11364421                   True              False               True   \n",
       " 10390396                   True              False              False   \n",
       " 20635522                   True              False              False   \n",
       " 4993                       True              False               True   \n",
       " 49836027                   True              False              False   \n",
       " 10172943                   True              False              False   \n",
       " 15983966                   True              False               True   \n",
       " ...                         ...                ...                ...   \n",
       " 11960529                   True              False               True   \n",
       " 5328940                    True              False              False   \n",
       " 216326                     True              False              False   \n",
       " 6450551                    True              False              False   \n",
       " 126565                     True              False              False   \n",
       " 6505803                    True              False              False   \n",
       " 10341154                   True              False               True   \n",
       " 11667893                   True              False              False   \n",
       " 5278396                    True              False              False   \n",
       " 10184653                   True              False               True   \n",
       " 24776445                   True              False              False   \n",
       " 24180719                   True              False               True   \n",
       " 10077147                   True              False               True   \n",
       " 11327430                   True              False              False   \n",
       " 156422                     True              False              False   \n",
       " 11624601                   True              False              False   \n",
       " 10384072                   True              False              False   \n",
       " 11433190                   True              False              False   \n",
       " 1401                       True              False               True   \n",
       " 9914412                    True              False               True   \n",
       " 44450571                   True               True              False   \n",
       " 5330286                    True              False               True   \n",
       " 17755052                   True              False               True   \n",
       " 9826528                    True              False              False   \n",
       " 11316960                   True              False              False   \n",
       " 10127622                   True              False               True   \n",
       " 46883536                   True              False              False   \n",
       " 11609586                   True              False              False   \n",
       " 11455910                   True              False              False   \n",
       " 9931953                   False              False              False   \n",
       " \n",
       "             finger_standard_3  finger_standard_4  finger_standard_5  \\\n",
       " pubchem_id                                                            \n",
       " 176870                  False              False              False   \n",
       " 5284616                 False               True              False   \n",
       " 5329102                 False              False              False   \n",
       " 10461815                False              False              False   \n",
       " 462382                  False              False              False   \n",
       " 36314                   False               True              False   \n",
       " 442972                  False               True              False   \n",
       " 11676786                False              False              False   \n",
       " 216239                  False              False              False   \n",
       " 5494449                 False              False              False   \n",
       " 5291                    False              False              False   \n",
       " 16038120                False              False              False   \n",
       " 11496366                False              False              False   \n",
       " 10302451                False              False              False   \n",
       " 76044                   False              False               True   \n",
       " 16760646                False              False              False   \n",
       " 3062316                 False              False              False   \n",
       " 5311510                 False              False              False   \n",
       " 644215                  False              False              False   \n",
       " 24825971                False              False              False   \n",
       " 9549184                 False              False              False   \n",
       " 11844351                False              False              False   \n",
       " 49821040                False              False              False   \n",
       " 11364421                False               True              False   \n",
       " 10390396                False               True              False   \n",
       " 20635522                False              False              False   \n",
       " 4993                    False              False              False   \n",
       " 49836027                False              False              False   \n",
       " 10172943                False              False              False   \n",
       " 15983966                False              False              False   \n",
       " ...                       ...                ...                ...   \n",
       " 11960529                False              False              False   \n",
       " 5328940                 False              False              False   \n",
       " 216326                  False              False              False   \n",
       " 6450551                 False              False              False   \n",
       " 126565                  False              False              False   \n",
       " 6505803                 False               True              False   \n",
       " 10341154                False              False              False   \n",
       " 11667893                False              False              False   \n",
       " 5278396                 False              False              False   \n",
       " 10184653                False              False              False   \n",
       " 24776445                False              False              False   \n",
       " 24180719                False              False               True   \n",
       " 10077147                False              False              False   \n",
       " 11327430                 True              False              False   \n",
       " 156422                  False              False              False   \n",
       " 11624601                False              False              False   \n",
       " 10384072                False              False              False   \n",
       " 11433190                False              False              False   \n",
       " 1401                    False              False              False   \n",
       " 9914412                 False              False              False   \n",
       " 44450571                False              False              False   \n",
       " 5330286                 False              False              False   \n",
       " 17755052                 True              False              False   \n",
       " 9826528                 False              False              False   \n",
       " 11316960                False              False              False   \n",
       " 10127622                False              False              False   \n",
       " 46883536                False              False              False   \n",
       " 11609586                False              False              False   \n",
       " 11455910                False              False              False   \n",
       " 9931953                 False              False              False   \n",
       " \n",
       "             finger_standard_6  finger_standard_7  finger_standard_8  \\\n",
       " pubchem_id                                                            \n",
       " 176870                  False               True              False   \n",
       " 5284616                  True              False              False   \n",
       " 5329102                 False              False              False   \n",
       " 10461815                 True              False              False   \n",
       " 462382                  False              False              False   \n",
       " 36314                    True              False              False   \n",
       " 442972                   True              False              False   \n",
       " 11676786                False              False               True   \n",
       " 216239                  False              False              False   \n",
       " 5494449                 False              False              False   \n",
       " 5291                    False               True               True   \n",
       " 16038120                False              False               True   \n",
       " 11496366                False              False               True   \n",
       " 10302451                False               True              False   \n",
       " 76044                   False              False              False   \n",
       " 16760646                False              False              False   \n",
       " 3062316                 False              False              False   \n",
       " 5311510                 False              False              False   \n",
       " 644215                  False              False               True   \n",
       " 24825971                False              False              False   \n",
       " 9549184                 False              False              False   \n",
       " 11844351                False              False               True   \n",
       " 49821040                False              False               True   \n",
       " 11364421                False              False              False   \n",
       " 10390396                False              False               True   \n",
       " 20635522                False              False              False   \n",
       " 4993                    False              False              False   \n",
       " 49836027                False              False               True   \n",
       " 10172943                False              False               True   \n",
       " 15983966                False               True              False   \n",
       " ...                       ...                ...                ...   \n",
       " 11960529                False               True              False   \n",
       " 5328940                 False              False              False   \n",
       " 216326                  False              False              False   \n",
       " 6450551                 False              False               True   \n",
       " 126565                  False              False              False   \n",
       " 6505803                  True              False              False   \n",
       " 10341154                False              False              False   \n",
       " 11667893                False              False              False   \n",
       " 5278396                 False              False              False   \n",
       " 10184653                False               True               True   \n",
       " 24776445                False              False              False   \n",
       " 24180719                False               True              False   \n",
       " 10077147                False              False              False   \n",
       " 11327430                False              False              False   \n",
       " 156422                  False               True              False   \n",
       " 11624601                False              False              False   \n",
       " 10384072                False              False              False   \n",
       " 11433190                False              False              False   \n",
       " 1401                    False               True               True   \n",
       " 9914412                 False               True               True   \n",
       " 44450571                False              False               True   \n",
       " 5330286                 False              False               True   \n",
       " 17755052                False               True               True   \n",
       " 9826528                 False              False              False   \n",
       " 11316960                 True              False              False   \n",
       " 10127622                False               True              False   \n",
       " 46883536                False              False              False   \n",
       " 11609586                False              False               True   \n",
       " 11455910                False              False              False   \n",
       " 9931953                 False              False               True   \n",
       " \n",
       "             finger_standard_9  \\\n",
       " pubchem_id                      \n",
       " 176870                  False   \n",
       " 5284616                 False   \n",
       " 5329102                 False   \n",
       " 10461815                False   \n",
       " 462382                  False   \n",
       " 36314                   False   \n",
       " 442972                  False   \n",
       " 11676786                False   \n",
       " 216239                  False   \n",
       " 5494449                 False   \n",
       " 5291                    False   \n",
       " 16038120                False   \n",
       " 11496366                False   \n",
       " 10302451                False   \n",
       " 76044                   False   \n",
       " 16760646                False   \n",
       " 3062316                 False   \n",
       " 5311510                 False   \n",
       " 644215                  False   \n",
       " 24825971                False   \n",
       " 9549184                  True   \n",
       " 11844351                False   \n",
       " 49821040                 True   \n",
       " 11364421                False   \n",
       " 10390396                False   \n",
       " 20635522                False   \n",
       " 4993                     True   \n",
       " 49836027                False   \n",
       " 10172943                False   \n",
       " 15983966                False   \n",
       " ...                       ...   \n",
       " 11960529                False   \n",
       " 5328940                 False   \n",
       " 216326                  False   \n",
       " 6450551                 False   \n",
       " 126565                  False   \n",
       " 6505803                 False   \n",
       " 10341154                False   \n",
       " 11667893                False   \n",
       " 5278396                 False   \n",
       " 10184653                False   \n",
       " 24776445                False   \n",
       " 24180719                False   \n",
       " 10077147                False   \n",
       " 11327430                False   \n",
       " 156422                  False   \n",
       " 11624601                False   \n",
       " 10384072                False   \n",
       " 11433190                False   \n",
       " 1401                     True   \n",
       " 9914412                 False   \n",
       " 44450571                False   \n",
       " 5330286                 False   \n",
       " 17755052                False   \n",
       " 9826528                 False   \n",
       " 11316960                False   \n",
       " 10127622                False   \n",
       " 46883536                False   \n",
       " 11609586                False   \n",
       " 11455910                False   \n",
       " 9931953                 False   \n",
       " \n",
       "                                   ...                          \\\n",
       " pubchem_id                        ...                           \n",
       " 176870                            ...                           \n",
       " 5284616                           ...                           \n",
       " 5329102                           ...                           \n",
       " 10461815                          ...                           \n",
       " 462382                            ...                           \n",
       " 36314                             ...                           \n",
       " 442972                            ...                           \n",
       " 11676786                          ...                           \n",
       " 216239                            ...                           \n",
       " 5494449                           ...                           \n",
       " 5291                              ...                           \n",
       " 16038120                          ...                           \n",
       " 11496366                          ...                           \n",
       " 10302451                          ...                           \n",
       " 76044                             ...                           \n",
       " 16760646                          ...                           \n",
       " 3062316                           ...                           \n",
       " 5311510                           ...                           \n",
       " 644215                            ...                           \n",
       " 24825971                          ...                           \n",
       " 9549184                           ...                           \n",
       " 11844351                          ...                           \n",
       " 49821040                          ...                           \n",
       " 11364421                          ...                           \n",
       " 10390396                          ...                           \n",
       " 20635522                          ...                           \n",
       " 4993                              ...                           \n",
       " 49836027                          ...                           \n",
       " 10172943                          ...                           \n",
       " 15983966                          ...                           \n",
       " ...                               ...                           \n",
       " 11960529                          ...                           \n",
       " 5328940                           ...                           \n",
       " 216326                            ...                           \n",
       " 6450551                           ...                           \n",
       " 126565                            ...                           \n",
       " 6505803                           ...                           \n",
       " 10341154                          ...                           \n",
       " 11667893                          ...                           \n",
       " 5278396                           ...                           \n",
       " 10184653                          ...                           \n",
       " 24776445                          ...                           \n",
       " 24180719                          ...                           \n",
       " 10077147                          ...                           \n",
       " 11327430                          ...                           \n",
       " 156422                            ...                           \n",
       " 11624601                          ...                           \n",
       " 10384072                          ...                           \n",
       " 11433190                          ...                           \n",
       " 1401                              ...                           \n",
       " 9914412                           ...                           \n",
       " 44450571                          ...                           \n",
       " 5330286                           ...                           \n",
       " 17755052                          ...                           \n",
       " 9826528                           ...                           \n",
       " 11316960                          ...                           \n",
       " 10127622                          ...                           \n",
       " 46883536                          ...                           \n",
       " 11609586                          ...                           \n",
       " 11455910                          ...                           \n",
       " 9931953                           ...                           \n",
       " \n",
       "             finger_circular_1018  finger_circular_1019  finger_circular_1020  \\\n",
       " pubchem_id                                                                     \n",
       " 176870                     False                 False                 False   \n",
       " 5284616                    False                 False                 False   \n",
       " 5329102                    False                 False                 False   \n",
       " 10461815                   False                 False                 False   \n",
       " 462382                     False                 False                 False   \n",
       " 36314                      False                 False                  True   \n",
       " 442972                     False                 False                 False   \n",
       " 11676786                   False                 False                 False   \n",
       " 216239                     False                 False                 False   \n",
       " 5494449                    False                 False                 False   \n",
       " 5291                       False                 False                 False   \n",
       " 16038120                   False                  True                 False   \n",
       " 11496366                   False                 False                 False   \n",
       " 10302451                    True                 False                  True   \n",
       " 76044                      False                 False                 False   \n",
       " 16760646                   False                 False                 False   \n",
       " 3062316                    False                 False                 False   \n",
       " 5311510                    False                 False                 False   \n",
       " 644215                     False                 False                 False   \n",
       " 24825971                   False                 False                 False   \n",
       " 9549184                    False                 False                 False   \n",
       " 11844351                   False                 False                 False   \n",
       " 49821040                   False                 False                 False   \n",
       " 11364421                   False                 False                 False   \n",
       " 10390396                   False                 False                  True   \n",
       " 20635522                   False                  True                 False   \n",
       " 4993                       False                 False                 False   \n",
       " 49836027                   False                 False                 False   \n",
       " 10172943                   False                 False                 False   \n",
       " 15983966                   False                 False                 False   \n",
       " ...                          ...                   ...                   ...   \n",
       " 11960529                   False                 False                 False   \n",
       " 5328940                    False                 False                 False   \n",
       " 216326                     False                 False                 False   \n",
       " 6450551                    False                 False                  True   \n",
       " 126565                      True                 False                 False   \n",
       " 6505803                    False                 False                 False   \n",
       " 10341154                   False                 False                 False   \n",
       " 11667893                   False                 False                 False   \n",
       " 5278396                    False                 False                 False   \n",
       " 10184653                   False                 False                  True   \n",
       " 24776445                    True                 False                 False   \n",
       " 24180719                   False                 False                 False   \n",
       " 10077147                   False                 False                 False   \n",
       " 11327430                   False                 False                 False   \n",
       " 156422                     False                 False                 False   \n",
       " 11624601                   False                 False                 False   \n",
       " 10384072                   False                 False                 False   \n",
       " 11433190                   False                 False                 False   \n",
       " 1401                       False                 False                 False   \n",
       " 9914412                    False                 False                 False   \n",
       " 44450571                   False                 False                 False   \n",
       " 5330286                    False                 False                 False   \n",
       " 17755052                   False                 False                 False   \n",
       " 9826528                    False                 False                 False   \n",
       " 11316960                   False                 False                 False   \n",
       " 10127622                   False                 False                 False   \n",
       " 46883536                   False                 False                 False   \n",
       " 11609586                   False                 False                 False   \n",
       " 11455910                   False                 False                 False   \n",
       " 9931953                    False                 False                 False   \n",
       " \n",
       "             finger_circular_1021  finger_circular_1022  finger_circular_1023  \\\n",
       " pubchem_id                                                                     \n",
       " 176870                     False                 False                 False   \n",
       " 5284616                    False                 False                 False   \n",
       " 5329102                    False                 False                 False   \n",
       " 10461815                   False                  True                 False   \n",
       " 462382                     False                 False                 False   \n",
       " 36314                      False                 False                 False   \n",
       " 442972                     False                 False                 False   \n",
       " 11676786                   False                 False                 False   \n",
       " 216239                     False                 False                 False   \n",
       " 5494449                    False                 False                 False   \n",
       " 5291                       False                 False                 False   \n",
       " 16038120                   False                 False                 False   \n",
       " 11496366                   False                 False                 False   \n",
       " 10302451                   False                 False                 False   \n",
       " 76044                      False                 False                 False   \n",
       " 16760646                   False                 False                 False   \n",
       " 3062316                    False                 False                 False   \n",
       " 5311510                    False                 False                 False   \n",
       " 644215                     False                 False                 False   \n",
       " 24825971                   False                 False                 False   \n",
       " 9549184                    False                 False                 False   \n",
       " 11844351                   False                 False                 False   \n",
       " 49821040                   False                 False                 False   \n",
       " 11364421                   False                 False                 False   \n",
       " 10390396                   False                 False                 False   \n",
       " 20635522                   False                 False                 False   \n",
       " 4993                       False                 False                 False   \n",
       " 49836027                   False                 False                 False   \n",
       " 10172943                   False                 False                 False   \n",
       " 15983966                   False                 False                 False   \n",
       " ...                          ...                   ...                   ...   \n",
       " 11960529                   False                 False                 False   \n",
       " 5328940                    False                 False                 False   \n",
       " 216326                     False                  True                 False   \n",
       " 6450551                    False                 False                 False   \n",
       " 126565                     False                  True                 False   \n",
       " 6505803                    False                 False                 False   \n",
       " 10341154                   False                 False                 False   \n",
       " 11667893                   False                 False                 False   \n",
       " 5278396                    False                 False                 False   \n",
       " 10184653                   False                 False                 False   \n",
       " 24776445                   False                 False                 False   \n",
       " 24180719                   False                 False                 False   \n",
       " 10077147                   False                 False                 False   \n",
       " 11327430                   False                 False                  True   \n",
       " 156422                     False                  True                 False   \n",
       " 11624601                   False                 False                 False   \n",
       " 10384072                   False                 False                 False   \n",
       " 11433190                   False                 False                 False   \n",
       " 1401                       False                 False                 False   \n",
       " 9914412                    False                 False                 False   \n",
       " 44450571                   False                 False                 False   \n",
       " 5330286                     True                 False                 False   \n",
       " 17755052                   False                 False                 False   \n",
       " 9826528                    False                 False                 False   \n",
       " 11316960                   False                  True                 False   \n",
       " 10127622                   False                 False                 False   \n",
       " 46883536                   False                 False                  True   \n",
       " 11609586                   False                  True                 False   \n",
       " 11455910                   False                 False                 False   \n",
       " 9931953                    False                  True                 False   \n",
       " \n",
       "             finger_circular_1024  real_num_atoms  real_num_bonds  \\\n",
       " pubchem_id                                                         \n",
       " 176870                     False              29              31   \n",
       " 5284616                     True              65              68   \n",
       " 5329102                    False              29              31   \n",
       " 10461815                   False              43              48   \n",
       " 462382                     False              34              34   \n",
       " 36314                      False              62              68   \n",
       " 442972                     False              30              35   \n",
       " 11676786                   False              34              37   \n",
       " 216239                     False              32              34   \n",
       " 5494449                    False              33              37   \n",
       " 5291                       False              37              41   \n",
       " 16038120                   False              42              46   \n",
       " 11496366                   False              31              34   \n",
       " 10302451                   False              38              43   \n",
       " 76044                      False              26              28   \n",
       " 16760646                   False              34              34   \n",
       " 3062316                    False              33              36   \n",
       " 5311510                    False              27              29   \n",
       " 644215                     False              25              27   \n",
       " 24825971                   False              34              38   \n",
       " 9549184                    False              46              52   \n",
       " 11844351                   False              42              46   \n",
       " 49821040                   False              33              36   \n",
       " 11364421                   False              38              42   \n",
       " 10390396                   False              34              38   \n",
       " 20635522                   False              42              45   \n",
       " 4993                       False              17              18   \n",
       " 49836027                   False              45              51   \n",
       " 10172943                   False              30              34   \n",
       " 15983966                   False              38              42   \n",
       " ...                          ...             ...             ...   \n",
       " 11960529                   False              18              20   \n",
       " 5328940                    False              36              39   \n",
       " 216326                     False              19              21   \n",
       " 6450551                    False              28              31   \n",
       " 126565                     False              33              40   \n",
       " 6505803                    False              42              43   \n",
       " 10341154                   False              29              31   \n",
       " 11667893                   False              28              31   \n",
       " 5278396                    False              27              31   \n",
       " 10184653                    True              34              37   \n",
       " 24776445                   False              27              29   \n",
       " 24180719                   False              27              29   \n",
       " 10077147                   False              34              37   \n",
       " 11327430                   False              30              35   \n",
       " 156422                     False              39              43   \n",
       " 11624601                   False              26              27   \n",
       " 10384072                   False              26              30   \n",
       " 11433190                   False              40              44   \n",
       " 1401                       False              38              40   \n",
       " 9914412                    False              38              42   \n",
       " 44450571                   False              24              27   \n",
       " 5330286                    False              33              37   \n",
       " 17755052                   False              35              40   \n",
       " 9826528                    False              26              27   \n",
       " 11316960                   False              34              38   \n",
       " 10127622                   False              27              29   \n",
       " 46883536                   False              34              36   \n",
       " 11609586                   False              25              28   \n",
       " 11455910                   False              41              44   \n",
       " 9931953                    False              29              31   \n",
       " \n",
       "                                                         smile  \n",
       " pubchem_id                                                     \n",
       " 176870      COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C...  \n",
       " 5284616     CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C...  \n",
       " 5329102     CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)...  \n",
       " 10461815    CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=...  \n",
       " 462382      CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=...  \n",
       " 36314       CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)...  \n",
       " 442972      CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C...  \n",
       " 11676786    CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N...  \n",
       " 216239      CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC...  \n",
       " 5494449     CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=...  \n",
       " 5291        CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C...  \n",
       " 16038120    CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C...  \n",
       " 11496366    CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N...  \n",
       " 10302451    CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC...  \n",
       " 76044       C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(...  \n",
       " 16760646    CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)...  \n",
       " 3062316     CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(...  \n",
       " 5311510     C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C...  \n",
       " 644215      C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO  \n",
       " 24825971    CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N...  \n",
       " 9549184     CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=...  \n",
       " 11844351    CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C...  \n",
       " 49821040    CCC(=O)N(C)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CCC...  \n",
       " 11364421    CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C...  \n",
       " 10390396    CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=...  \n",
       " 20635522    CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=C...  \n",
       " 4993                     CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl  \n",
       " 49836027    CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN...  \n",
       " 10172943    CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=...  \n",
       " 15983966    CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3...  \n",
       " ...                                                       ...  \n",
       " 11960529                  CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N  \n",
       " 5328940     CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=...  \n",
       " 216326                  C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N  \n",
       " 6450551     CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=...  \n",
       " 126565      CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8...  \n",
       " 6505803     CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C...  \n",
       " 10341154    C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C...  \n",
       " 11667893    CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC...  \n",
       " 5278396     C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=C...  \n",
       " 10184653    CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(...  \n",
       " 24776445    CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl...  \n",
       " 24180719    CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=...  \n",
       " 10077147    C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCC...  \n",
       " 11327430    C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4...  \n",
       " 156422      CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=C...  \n",
       " 11624601    CCOC1=C(C(=CC(=N1)NC(=O)CC2=C(C=CC(=C2)OC)OC)N...  \n",
       " 10384072    C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)O)C5=C...  \n",
       " 11433190    CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=...  \n",
       " 1401        CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C...  \n",
       " 9914412     COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)...  \n",
       " 44450571    C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)...  \n",
       " 5330286     CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN...  \n",
       " 17755052    CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=...  \n",
       " 9826528     C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O  \n",
       " 11316960    CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)...  \n",
       " 10127622    CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=...  \n",
       " 46883536    C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N...  \n",
       " 11609586    C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4  \n",
       " 11455910    CC(C)C1=CC=CC=C1CC2=C(C(=C(C(=C2)C(=O)NC3=CC=C...  \n",
       " 9931953     CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2...  \n",
       " \n",
       " [124 rows x 12134 columns],\n",
       " 'drug_ids': ['176870',\n",
       "  '176870',\n",
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       " 'f': <_io.TextIOWrapper name='Data/Drug_PubChem_IDs.txt' mode='r' encoding='UTF-8'>,\n",
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