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Can we predict crystal polymorphs from structure?

Category: Chemistry

Status: Queued

Most organic molecules form several distinct crystal packings (polymorphs), often with drastically different properties — famously, ritonavir's market withdrawal due to an unexpected polymorph in 1998.

Modern crystal structure prediction (CSP) is improving, but selectively identifying the relevant polymorph for a given molecule, especially in pharmaceuticals, remains unsolved.

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