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.

引用

页码：71 / 82

页数：12

共 22 条

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