DESCRIPTION

Package: SENDQSAR
Title: Building a Quantitative Structure-Activity Relationship 
       model leveraging SEND Database
Version: 0.0.0.9000
Authors@R: 
    c(person(given = "Md Aminul Islam", 
           family = "Prodhan", 
           email = "aminuldu07@gmail.com", 
           role = c("aut", "cre"),
           comment = c(ORCID = "0000-0002-8707-0049")),
           person("Kevin", 
           "Snyder", 
           email= "kevin.snyder@fda.hhs.gov", 
           role = c("aut"))
           )
Author: Md Aminul Islam Prodhan <aminuldu07@gmail.com>           
Maintainer: Md Aminul Islam Prodhan <aminuldu07@gmail.com>
Description: This package offers a comprehensive framework for developing 
 Quantitative Structure-Activity Relationship (QSAR) models using the 
 SEND (Standard for Exchange of Nonclinical Data) database. It streamlines 
 the process of data acquisition, preprocessing, descriptor calculation,
 model training, and evaluation. With built-in tools for feature selection
 and visualization, users can easily delve into molecular descriptors
 and generate robust predictive models. Ideal for researchers aiming to
 understand chemical behavior and biological activity, this package simplifies
 complex modeling tasks while ensuring reproducibility and interpretability.
License: MIT + file LICENSE
Encoding: UTF-8
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.3.2
Imports: 
    sendigR,
    RSQLite,
    caret,
    data.table,
    DBI,
    fs,
    dplyr,
    randomForest,
    reshape2,
    ROCR,
    stringr,
    tidyr,
    ggplot2,
    glue,
    matrixStats,
    magrittr,
    haven,
    reprtree
Remotes: 
    araastat/reprtree
Suggests: 
    knitr,
    rmarkdown,
    testthat (>= 3.0.0),
    usethis
Config/testthat/edition: 3
URL: https://aminuldu07.github.io/SENDQSAR/, https://github.com/aminuldu07/SENDQSAR
BugReports: https://github.com/aminuldu07/SENDQSAR/issues
VignetteBuilder: knitr