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. 2022 Jun 15;22(7):4513–4527. doi: 10.1021/acs.cgd.2c00433

Table 4. Potential Effects of Computational Coformer Screening on Experimental Coformer Screening Programsa.

API % coformers with ΔΔUc > 5 kJ/mol % coformers with ΔΔUc ≤ 5 kJ/mol that lead to experimentally observed cocrystals
paracetamol 40 33
aspirin 80 0
carbamazepine 0 60
overall 40 44
a

The second column indicates the proportion of the coformers that could be deemed to be unlikely to lead to cocrystals and might therefore be excluded from an experimental program. The last column indicates the proportion of nonexcluded coformers that would lead to a successful identification of a cocrystal.