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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
Publicado en:PLoS One
Main Authors: Balfer, Jenny, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado: Public Library of Science 2015
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4350943/
https://ncbi.nlm.nih.gov/pubmed/25742011
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0119301
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