Summary
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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Kim, K.H. Nonlinear dependence in comparative molecular field analysis. J Computer-Aided Mol Des 7, 71–82 (1993). https://doi.org/10.1007/BF00141576
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DOI: https://doi.org/10.1007/BF00141576