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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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/PMC6045367/
https://www.ncbi.nlm.nih.gov/pubmed/30023518
http://dx.doi.org/10.1021/acsomega.7b01079

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6045367/
https://www.ncbi.nlm.nih.gov/pubmed/30023518
http://dx.doi.org/10.1021/acsomega.7b01079

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