Browsing Statistics Faculty Research and Publications by Subject "QSAR"

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High-dimensional descriptor selection and computational QSAR modeling for antitumor activity of ARC-111 analogues based on support vector regression (SVR)

Zhou, Wei; Zhijun, Dai; Chen, Yuan; Wang, Haiyan; Yuan, Zheming (2012-05-11)

To design ARC-111 analogues with improved efficiency, we constructed the QSAR of 22 ARC-111 analogues with RPMI8402 tumor cells. First, the optimized support vector regression (SVR) model based on the literature descriptors ...