Interaction frequencies as a means to design multicomponent forms

Using structural data to guide cocrystal design

Choosing suitable molecular partners is a central challenge in designing cocrystals with useful properties. Paolo P. Mazzeo’s commentary in Acta Crystallographica Section B explores an approach developed by Stevens and colleagues that uses interaction frequencies in the Cambridge Structural Database to identify promising combinations. By drawing on experimentally observed hydrogen-bonding patterns, the method helps researchers prioritise potential coformers and focus their experiments, supporting the rational design of multicomponent crystalline materials.

Read “Interaction frequencies as a means to design multicomponent forms” — Acta Cryst. B82, 367–368 (August 2026).

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