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Support Vector Machine Classification and Regression Prioritize Different Structural Features for Binary Compound Activity and Potency Value Prediction

[Image: see text] In computational chemistry and chemoinformatics, the support vector machine (SVM) algorithm is among the most widely used machine learning methods for the identification of new active compounds. In addition, support vector regression (SVR) has become a preferred approach for modeli...

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Dettagli Bibliografici
Pubblicato in:ACS Omega
Autori principali: Rodríguez-Pérez, Raquel, Vogt, Martin, Bajorath, Jürgen
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2017
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6045367/
https://ncbi.nlm.nih.gov/pubmed/30023518
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.7b01079
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