Nonlinear dependence in comparative molecular field analysis.
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.
Kim
K H
KH
Pharmaceutical Products Division, Abbott Laboratories, Abbott Park, IL 60064.
D001419:Bacteria / Q000187:drug effects; D001548:Benzalkonium Compounds / Q000737:chemistry / Q000494:pharmacology; D015195:Drug Design; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D001548:Benzalkonium Compounds