Combined In-Silico & Experimental Approach for Solid Form Crystallization Development

This presentation will focus on combined in-silico & experimental approaches for solid form screening & selection, including validated methodology and workflow. To allow for a rational approach to API crystallization development, in-silico screening approaches are discussed. Such approaches include virtual solvent screening for drug substance crystallization, solid state de-solvation, deagglomeration/agglomeration, shape optimization and impurities rejection. Application of rational co-former or counterion screening will be discussed as well to guide solid form selection/switching for improved physical properties of drug substance. Examples of combined in-silico & experimental selections of solvent and co-former or counterion for crystallization development will be presented.