NONLINEAR DEPENDENCE IN COMPARATIVE MOLECULAR-FIELD ANALYSIS

被引：22
|
作者：
KIM, KH
机构：
[1] Computer Assisted Molecular Design, Pharmaceutical Products Division, Abbott Laboratories, Abbott Park, 60064, IL
来源：
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 1993年 / 7卷 / 01期
关键词：
3D QSAR; COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); GRID; PARABOLIC; BILINEAR; NONLINEAR; HYDROPHOBICITY;
D O I：
10.1007/BF00141576
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
The applicability of the comparative molecular field analysis (CoMFA) approach to describe the nonlinear dependence of biological activity on lipophilicity in 3D quantitative structure-activity relationships (QSAR) has been demonstrated. The results indicate that the CoMFA approach is appropriate for describing nonlinear effects in 3D QSAR studies.
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页码：71 / 82
页数：12
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