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Free Wilson Analysis. Theory, Applications and its Relationship to Hansch Analysis

1988; Wiley; Volume: 7; Issue: 3 Linguagem: Inglês

10.1002/qsar.19880070303

1521-3838

Hugo Kubinyi,

Protein Structure and Dynamics

Abstract The Free Wilson model is a simple and efficient method for the quantitative description of structure activity relationships. It is the only numerical method which directly relates structural features with biological properties, in contrast to Hansch analysis, where physicochemical properties are correlated with biological activity values. Nevertheless both approaches are closely interrelated, not only from a theoretical point of view, but also in their practical applicability. In many cases both models can be combined to a mixed approach which includes Free Wilson type parameters to describe the activity contributions of certain structural modifications and physicochemical parameters to describe the effect of some other substituents on the biological activity. Many successful applications, especially from the work of Hansch and his group on the structure activity relationships of enzyme inhibitors, demonstrate that this combined model is the most powerful tool of classical QSAR.