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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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書目詳細資料
發表在:PLoS One
Main Authors: Balfer, Jenny, Bajorath, Jürgen
格式: Artigo
語言:Inglês
出版: Public Library of Science 2015
主題:
在線閱讀: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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