Pharmaceutical development currently stands poised to benefit from the big data revolution, but not equipped with a platform to reap the potential rewards. Central to this opportunity is the Cambridge Structural Database (CSD), the world’s most comprehensive database of small molecule crystal structures.
The CCDC uses this collection of over one million crystal structures to establish the key links between structural features, risk assessment, and potential development and formulation issues. By applying a solid-form informatics approach, the CCDC is directing the development and application of predictive tools that exploit our understanding of the solid state. These tools can then be applied to assess risk, support the design of more robust manufacturing processes, and help identify appropriate formulation decisions.
Using a range of computational approaches, crystal structures of drug molecules can been evaluated at molecular, intermolecular, and supramolecular level to help navigate the solid form landscape. Alongside the application of new bespoke analytical tools developed alongside industrial partners, a robust structural analysis protocol for the drug formulation scientist is emerging, which offers valuable insights into the potential downstream behaviour of drug candidates during formulation.
The CCDC uses this collection of over one million crystal structures to establish the key links between structural features, risk assessment, and potential development and formulation issues. By applying a solid-form informatics approach, the CCDC is directing the development and application of predictive tools that exploit our understanding of the solid state. These tools can then be applied to assess risk, support the design of more robust manufacturing processes, and help identify appropriate formulation decisions.
Using a range of computational approaches, crystal structures of drug molecules can been evaluated at molecular, intermolecular, and supramolecular level to help navigate the solid form landscape. Alongside the application of new bespoke analytical tools developed alongside industrial partners, a robust structural analysis protocol for the drug formulation scientist is emerging, which offers valuable insights into the potential downstream behaviour of drug candidates during formulation.
