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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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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Rodríguez-Pérez, Raquel, Vogt, Martin, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha: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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