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Nevin Manimala Statistics

Interaction frequencies as a means to design multicomponent forms

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2026 Aug 1;82(Pt 4):367-368. doi: 10.1107/S205252062600795X. Epub 2026 Aug 1.

ABSTRACT

Computational crystal engineering approaches to design multicomponent solid forms are a popular means to target experiments that are likely to result in successful outcomes. By utilizing statistics of intermolecular interactions across a large database of experimental crystal structures, Stevens et al. [Acta Cryst. (2026), B82, 391-398] provide a rapid means of identifying key synthons for rational cocrystal design.

PMID:42599227 | DOI:10.1107/S205252062600795X

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