(139f) Novel Computational Approaches to Support Pharmaceutical Solid State Chemistry Tasks

Given the complexity of the pharmaceutical solid‐state landscape and challenges facing the pharmaceutical industry, an accelerated Drug Development greatly benefits from guidance provided by computational methods. In particular, Computational Pharmaceutical Solid State Chemistry is used to support all steps related to the development of solid‐state pharmaceuticals.¹ This presentation will focus on novel computational approaches to support decrease of pharmaceutical crystals agglomeration,² and solvent selection for impurity purge via recrystallization.³

1. Abramov, Y.A., Ed. Computational Pharmaceutical Solid State Chemistry, John Wiley & Sons, 2016.
2. Abramov Y.A. Cryst. Growth Des. 2017, 17, 2873−2880.
3. Abramov Y.A. Cryst. Growth Des. 2018, 18, 1208−1214.