Computation of octanol-water partition coefficients by guiding an additive model with knowledge.

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作者： Tiejun,Cheng ^[1] ; Yuan,Zhao ; Xun,Li ; Fu,Lin ; Yong,Xu ; Xinglong,Zhang ; Yan,Li ; Renxiao,Wang ; Luhua,Lai

作者单位： State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai, P. R. China. ^[1]

主题词算法(Algorithms);羧酸类(Carboxylic Acids);计算机(Computers);模型, 化学(Models, Chemical);分子结构(Molecular Structure);辛醇类(Octanols);寡肽类(Oligopeptides);药用制剂(Pharmaceutical Preparations);美国(United States);美国食品和药物管理局(United States Food and Drug Administration);水(Water)

DOI 10.1021/ci700257y

PMID 17985865

发布时间 2013-11-21

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Journal of chemical information and modeling

2140-8页

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Computation of octanol-water partition coefficients by guiding an additive model with knowledge.

Journal of chemical information and modeling

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Computation of octanol-water partition coefficients by guiding an additive model with knowledge.

Journal of chemical information and modeling

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Journal of chemical information and modeling

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