Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers

Brienne Sprague, Qian Shi, Marlene T. Kim, Liying Zhang, Alexander Sedykh, Eiichiro Ichiishi, Harukuni Tokuda, Kuo-Hsiung Lee, Hao Zhu. Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers. Journal of Computer-Aided Molecular Design, 28(6):631-646, 2014. [doi]

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