Free energy profiles for monomer capture in Grubbs- and SHOP-type olefin polymerization catalysts: A constraint ab initio molecular dynamics study. - Sheng-Yong Yang; Ming-Li Xiang; Li-Juan Chen; Guo-Bin Xie; Bing Shi; Yu-Quan Wei; Tom Ziegler (J. Comput. Chem., 2007)

An integrated scheme for feature selection and parameter setting in the support vector machine modeling and its application to the prediction of pharmacokinetic properties of drugs. - Sheng-Yong Yang; Qi Huang; Lin-Li Li; Chang-Ying Ma; Hui Zhang 007; Ru Bai; Qizhi Teng; Ming-Li Xiang; Yu-Quan Wei (Artif. Intell. Medicine, 2009)

Effect of training data size and noise level on support vector machines virtual screening of genotoxic compounds from large compound libraries. - Pankaj Kumar; Xiaohua Ma 003; Xianghui Liu; Jia Jia; Bu-Cong Han; Ying Xue 001; Ze-Rong Li; Sheng-Yong Yang; Yu-Quan Wei; Yuzong Chen 002 (J. Comput. Aided Mol. Des., 2011)

Discovery of Novel Pim-1 Kinase Inhibitors by a Hierarchical Multistage Virtual Screening Approach Based on SVM Model, Pharmacophore, and Molecular Docking. - Ji-Xia Ren; Lin-Li Li; Ren-Lin Zheng; Huan-Zhang Xie; Zhi-Xing Cao; Shan Feng; You-Li Pan; Xin Chen; Yu-Quan Wei; Sheng-Yong Yang (J. Chem. Inf. Model., 2011)

Therapeutic target database update 2014: a resource for targeted therapeutics. - Chu Qin; Cheng Zhang; Feng Zhu 004; Feng Xu; Shangying Chen; Peng Zhang 033; Ying Hong Li 002; Sheng-Yong Yang; Yu-Quan Wei; Lin Tao; Yuzong Chen 002 (Nucleic Acids Res., 2014)