Given the overwhelming proportion of small-molecule pharmaceutical therapies that are administered as crystalline solids, it should come as little surprise that the 750,000 crystal structures available to all can play a huge role in successfully developing the solid form of a compound, through the selection of the formulation with optimal physical properties. The geometrical insights and understanding of molecular interactions, from tens of millions of experimental observations allows us to build a probabilistic framework, in which we can understand the likely issues and opportunities presented to us for any molecule. This presentation, timed to coincide with the 50th anniversary of the Cambridge Structural Database, will outline how we can apply such a framework to determine the best strategy of taking a clinical candidate from molecule, to approved API.

Using crystal structures to understand pharmaceutical materials

249th National Meeting (2015)

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