Our objectives are to develop and apply predictive tools that exploit our understanding of crystalline structures to support the design of more robust manufacturing processes and the identification of the most appropriate controls. These tools are used to underpin our fundamental understanding of the link between molecular structure, crystal structure and physical properties critical to drug product processing. Knowledge of such links can then be used to optimise future drug development processes.
Led by CCDC, work in WP5 is geared towards integration of the new tools into existing CCDC software and workflows, including but not limited to Mercury and the CCDC Python API.