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From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids

A set of calculated structural descriptors [% solvent accessible volumes per unit cell (% SAVs), relative packing index and the estimated distance of polar/non-polar groups on the acid relative to the lattice positions corresponding to crystal voids] were used to assess the utility of predicted crystal form

Authors:   Sharmarke Mohamed; Liang Li
Journal:   CrystEngComm
DOI:   10.1039/C8CE00758F
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