Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization
Isaac J. Sugden, Doris E. Braun, David Bowskill, Claire S. Adjiman, Constantinos C. Pantelides
Abstract
-aconitic acid polymorph. The computational approach indicates that, for some APIs, a significant proportion of all potential API/coformer pairs could be investigated with only a brief experimental check, thereby saving considerable experimental effort.
Topics & Concepts
CocrystalActive ingredientBiochemical engineeringComputer scienceChemistryCombinatorial chemistryOrganic chemistryMoleculeBioinformaticsEngineeringBiologyHydrogen bondCrystallography and molecular interactionsCrystallization and Solubility StudiesX-ray Diffraction in Crystallography