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Towards the Computational Prediction of Polymorphism

The recent discovery of a new polymorph of piracetam allowed the ‘blind’ testing of a novel method of computational crystal structure prediction for flexible molecules; the successful quantitative prediction of the crystal structure of form IV of piracetam shows that such calculations could be a valuable complement to solid form screening and the associated due diligence process.

By Professor Sarah (Sally) Price at University College London (February 2006)

Keywords: Computational Prediction of Polymorphism piracetam ‘blind’ testing crystal structure prediction flexible molecules

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