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研究领域

化学信息学(chemoinformatics)

近期论文

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Qing-You Zhang, etc, Methods of studies on quantitative structure–activity relationships for chiral compounds. J. Chemom. 2012, 26(10) 497-508. Qing-You Zhang, etc. Prediction of Enantiomeric Excess in a Catalytic Process: A Chemoinformatics Approach Using Chirality Codes. MATCH Commun. Math.Comput. Chem., 2012, 67(3), 773-786. Qing-You Zhang, etc. Virtual screening of a combinatorial library of enantioselective catalysts with chirality codes and counterpropagation neural networks. Chemometrics and Intelligent Laboratory Systems, 2011, 109(2), 113-119. Qing-You Zhang, etc. Joao Aires-de-Sousa. Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors. J.Chem.Inf. Mode. 2007,47 (1),1-8. (2007年该刊第5热门文章) Qing-You Zhang, etc. Physicochemical Stereodescriptors of Atomic Chiral Centers. J. Chem. Inf. Mode. 2006, 46(6), 2278-2287. Qing-You Zhang, etc. Automatic Assignment of Absolute Configuration from 1D NMR Data. J.Org. Chem. 2005, 70 (6), 2120-2130. Qing-You Zhang, etc. Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers. J. Chem. Inf. Model.2005, 45(6), 1775-1783.

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