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Pharmaceutical Crystallization Support by Computational Approaches

Yuriy A. Abramov yuriy.abramov@xtalpi.com XtalPi Inc, Cambridge MA, USA. Given challenges facing the pharmaceutical industry, an accelerated Drug Development greatly benefits from guidance provided by computational methods.1 This presentation will focus on computational support of the following important tasks related to the pharmaceutical crystallization. That includes derisking of the stable solid form selection of pharmaceutical API; in silico coformer screening for an API or intermediate cocrystallization; rational solvent selection for solid solvate desolvation; and in silico solvent screening for impurity purge via recrystallization.
  1. Abramov, Y.A., Ed. Computational Pharmaceutical Solid State Chemistry, John Wiley & Sons, 2016.
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