Computer-Aided Design of Sustainable Separations: CADSep

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The research team will develop a fast and automated approach to identify the solvent mixtures that give the best separationof pharmaceutical compounds. This can mean finding the best mixture amongst existing ones or inventing a new mixturefor a particular application. This work can have a large impact on pharmaceutical discovery and manufacturing, as the fastidentification of good solvent systems will help to test more potential drug compounds and to explore a larger number ofmanufacturing routes.Key aspects of the work will include: (i) developing predictive models of the physical properties of pharmaceuticalcompounds in a wide range of solvent mixtures, (ii) developing an algorithm for solvent mixture identification, (iii) testingthese advances by working with industrial partners.