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Nonlinear dependence in comparative molecular field analysis
1Pharmaceutical Products Division, Abbott Laboratories, Abbott Park, IL 60064.
Journal of Computer-Aided Molecular Design
|February 1, 1993
Abstract:
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.