Predictive Power of Substructure-based Approaches

LogP prediction software has to be vahdated by comprehensive comparison of calculated versus experimental values. Several such comparisons have appeared 

We want to thank Alex Avdeef for supply with an updated log P database. Thanks are also due to Pranas Japertas (Pharma Algorithms, Canada) for calculating the test set with AB/LogP and to Remy Hoffmann (Accelrys, Prance) for doing such calculations with ALOGP98. 

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2 Van de Waterbeemd, H., Testa, B. The parameterization of lipophilidty and other structural properties in drug design. Adv. Drug Res. 1987, 76, 

3 Kubinyi, H. lipophilicity and drug activity. Prog. Drug Res. 1979, 23, 97-198. 

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