(226a) Computational Solid‐State Chemistry Applications in Pharmaceutical Industry

Given the complexity of the pharmaceutical solidâ?state landscape and challenges facing the pharmaceutical industry, an accelerated Drug Development greatly benefits from guidance provided by computational methods. The emerging field of Computational Pharmaceutical Solid State Chemistry covers the whole spectrum of stateâ?ofâ?theâ?art computational approaches, which are used to support all steps related to the development of solidâ?state pharmaceuticals.¹ This work will consider virtual screening approaches allowing solvent selection for impurity purge, coformer selection for cocrystallization and solid solvate/hydrate formation screening.

1. Abramov, Y.A., Ed. Computational Pharmaceutical Solid State Chemistry, John Wiley & Sons, 2016.