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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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Detalles Bibliográficos
Autores principales: Rodríguez-Pérez, Raquel, Vogt, Martin, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5417594/
https://www.ncbi.nlm.nih.gov/pubmed/28376613
http://dx.doi.org/10.1021/acs.jcim.7b00088