logP
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Overview
The logP plugin calculates the octanol/water partition coefficient, which is used in QSAR analysis and rational drug design as a measure of molecular hydrophobicity. The calculation method is based on the publication of Viswanadhan at al. The logP value of a molecule is composed of the increment values of its atoms. Though, logP is generally calculated for the neutral molecule forms only, this plugin is able to handle ionic species as well, owing to the improved algorithm.
Learn more about how the plugin calculates logP.
Related Library items
Training pKa and logP prediction Presentation
pKa and logP prediction methods are based only on a limited number of molecule types in the training set. The accuracy of these models is not always satisfactory. Practically, in most cas…
June 2009