Quantitative structure-activity relationships. 1. The modified Free-Wilson approach

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Abstract
The relationships between the linear free energy related Hansch model and the mathematical models of Free-Wilson and Bocek-Kopecky are reviewed and discussed. Some examples are given to illustrate the theoretically derived relationships and to demonstrate scope and limitations of each mathematical model. The modified Free-Wilson approach is completely equivalent to a nonparabolic Hansch approach; it can be used to study additivity or nonadditivity of group contributions and to control and improve the fitting of Hansch equations. The Bocek-Kopecky approach is related to the parabolic form of the Hansch approach; its practical use is limited by the great number of variables involved.