Application of COSMO-RS as an excipient ranking tool in early formulation development

The low amounts of drug available in early discovery often results in limited information on the physico-chemical (solubility etc.) properties of a compound being obtained. As a result, predictive tools and miniaturised screens have been investigated to aid formulation development in early discovery. This study looks at the potential application of the quantum chemistry program, Conductor Screening Model for Real Solvents (COSMO-RS) to help with the selection of excipients for formulation development in early discovery. The excipient solubility predictions obtained from COSMO-RS were compared to experimentally obtained solubilities. The results showed that in general, COSMO-RS was able to help formulators with the selection of the most appropriate excipients to solubilise the model compound.