Improving poor physicochemical properties of active ingredients and intermediates is a challenging problem for solid formulation scientists. Physics-based computational models to select pure solvents, solvent mixtures and coformers for crystallization processes has recently attracted much attention in the pharmaceutical industry. Here, I will present some case studies to demonstrate how we employ physics-based models to (i) perform a rational solvent selection to identify solvents with high and low probability to form solvates and/or impurity purge; and (ii) select coformers to form a cocrystal and guide comprehensive experimental solid form screening to mitigate challenges in solid formulation.
