Systematic Artifacts in Support Vector Regression-Based Compound Potency Prediction Revealed by Statistical and Activity Landscape Analysis

Support vector machines are a popular machine learning method for many classification tasks in biology and chemistry. In addition, the support vector regression (SVR) variant is widely used for numerical property predictions. In chemoinformatics and pharmaceutical research, SVR has become the probab...

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Detalles Bibliográficos
Autores principales: Balfer, Jenny, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350943/
https://www.ncbi.nlm.nih.gov/pubmed/25742011
http://dx.doi.org/10.1371/journal.pone.0119301

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350943/
https://www.ncbi.nlm.nih.gov/pubmed/25742011
http://dx.doi.org/10.1371/journal.pone.0119301

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