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Nonlinear dependence in comparative molecular field analysis

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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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