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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