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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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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Balfer, Jenny, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2015
Assuntos:
Acesso em linha: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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