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

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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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