(42e) A Combined Theoretical and Experimental Investigation into the High Throughput Screening of Cocrystal Coformers
Exploiting these advances, we present a high throughput co-crystallisation study into 4 Active Pharmaceutical Ingredients (APIâs), combined with 10 coformers, selected from the GRAS list. Having performed a standard, neat, CSP study on each of the molecules, assessing the energy of potential cocrystals of the API and any of the coformers becomes an almost trivial task, through the judicious use of LAM databases. Comparing the energies of the cocrystals, versus the combined single crystal energies, allows the user to make informed decisions on which coformer to crystallise the API with, in order to target specific physical properties.
Combined with the theoretical predictions, experimental co-crystallisation experiments were performed between the APIâs and each of the coformers; comparisons will be made to assess the accuracy, as well as demonstrate the capacity for the technique to be taken up into standard pharmaceutical development workflows.
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