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Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds

[Image: see text] Support vector machine (SVM) modeling is one of the most popular machine learning approaches in chemoinformatics and drug design. The influence of training set composition and size on predictions currently is an underinvestigated issue in SVM modeling. In this study, we have derive...

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Vydáno v:J Chem Inf Model
Hlavní autoři: Rodríguez-Pérez, Raquel, Vogt, Martin, Bajorath, Jürgen
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2017
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5417594/
https://ncbi.nlm.nih.gov/pubmed/28376613
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00088
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