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Re-training of the statistical scoring model #53

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bachi55 opened this issue Sep 25, 2020 · 1 comment
Open

Re-training of the statistical scoring model #53

bachi55 opened this issue Sep 25, 2020 · 1 comment

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@bachi55
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bachi55 commented Sep 25, 2020

Hi,

how is the procedure to re-train the statistical scoring parameters / models (associated with e.g. 'AutomatedPeakFingerprintAnnotationScore', see this publication), using a new set of MS2 spectra?

My aim is to have a model, where I can run a cross-validation excluding test spectra / molecules, from the prediction model.

Best regards,
Eric
@bachi55 bachi55 changed the title Re-training for the statistical scoring Re-training of the statistical scoring model Sep 25, 2020
@sneumann
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Let's see if @c-ruttkies has some hands-on instructions or pointers to scripts somewhere. Yours, Steffen

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@sneumann @bachi55