P Values in Two-Dimensional Quantitative Structure-Activity Relationships

Computed log P Values in Two-Dimensional Quantitative Structure—Activity Relationships 

Even with the recent development of powerful experimental techniques, the measurement of partition coefficients of complex molecules remains a difficult and time-consuming task that often is too slow for drug 

Calculated partition coefficients can also be used gainfully in environmental toxicity studies, where the series of compounds of interest are large and relatively homogeneous. Moreover, the often high lipophilicity of some pollutants makes it difficult to measure their partition coefficients experimentally.208-2 Interesting applications of calculated log P values are apparent in the rapidly growing field of database management and combinatorial libraries.  

To assess molecular diversity, clustering techniques may be used based on computed properties, as well presented in a noteworthy paper. With combinatorial libraries, the very large number of compounds to be handled precludes any type of measurement or complex computational technique, strengthening the advantage of rapid fragmental methods such as CLOGP. 

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