Using Crystal Math to predict aspirin crystal structures (IMAGE)

New York University

Using Crystal Math to predict aspirin crystal structures

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Illustrating the steps of Crystal Math for aspirin: The procedure starts with a simple molecular diagram of the compound, information from this diagram is fed into the equations of Crystal Math, and the output is the three-dimensional structures and a topological ranking of experimentally realizable crystalline forms, of which there are three for aspirin. Credit: Tuckerman Research Group

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Tuckerman Research Group

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