Polymorph Predictor

Polymorph Predictor allows you to predict potential polymorphs of a given compound directly from the molecular structure. Polymorph Predictor has been developed for polymorph prediction of fairly rigid, non-ionic or ionic molecules composed mostly of carbon, nitrogen, oxygen, and hydrogen. The approach is based on the generation of possible packing arrangements in all reasonable space groups to search for the low-lying minima in lattice energy. Applications include pharmaceuticals, agrochemicals, pigments, dyes, explosives, and specialty chemicals, where polymorphs may differ in key properties such as shelf-life, bioavailability, solubility, morphology, vapor pressure, density, color, and shock sensitivity.

Polymorph Predictor will enable you to:

• Predict polymorphs directly from molecular structures
• Study fairly rigid, non-ionic and ionic molecules
• Gain vital input for compound patenting and registration