QikProp is a program that allows you to efficiently evaluate pharmaceutically relevant properties. It predicts the widest variety of pharmaceutically relevant properties - octanol/water and water/gas log Ps, log S, log BB, overall CNS activity, Caco-2 and MDCK cell permeabilities.
It is a free tool for the analysis of molecular descriptor correlations.
An open-source tool that creates and delivers visual, interactive simulations.
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