Estimating aqueous solvation and lipophilicity of small organic molecules: A comparative overview of atom/group contribution methods
作者:
Vellarkad N. Viswanadhan [1]
;
Arup K. Ghose ;
John J. Wendoloski
作者单位:
Amgen Inc., 1 Amgen Center Drive, Thousand Oaks, CA 91320, U.S.A.
[1]
关键词:
ALOGP;ALOGS;aqueous solvation;atomic constant;fragmental method;HLOGP;HLOGS;lipophilicity (log P);molecular hologram;solvation free energy
发布时间:
2013-11-21
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