VolSurf is a computational procedure to produce 2D molecular descriptors from 3D interaction energy grid maps

The basic idea of VolSurf is to compress the information present in 3D maps into few 2D numerical descriptors which are very simple to understand and to interpret. The inherent information is summarized and interpreted in physicochemical terms

VolSurf descriptors are specifically designed for the optimization of pharmacokinetic properties

More information about VolSurf can be found in the Molecular Discovery web site.

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