Computation of Octanol−Water Partition Coefficients by Guiding an Additive Model with Knowledge

Journal of Chemical Information and Modeling - Tập 47 Số 6 - Trang 2140-2148 - 2007
Tiejun Cheng1, Yuan Zhao2, Xun Li2, Lin Fu2, Yong Xu2, Xinglong Zhang2, Yan Li2, Renxiao Wang2, Luhua Lai3
1State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai, P. R. China.
2State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, P. R. China.
3State Key Laboratory of Structural Chemistry of Stable and Unstable Species, College of Chemistry, Peking University, Beijing, P. R. China

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