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Tags: COSMO-RS

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  1. The A Priori Design and Selection of Ionic Liquids as Solvents for Active Pharmaceutical Ingredients

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    09 Jun 2023 | Contributor(s):: Kunov-Kruse, AJ, Weber, CCRogers, RD, Myerson, AS

    In this paper we derive a straightforward computational approach to predict the optimal ionic liquid (IL) solvent for a given compound, based on COSMO-RS calculations. These calculations were performed on 18 different active pharmaceutical ingredients (APIs) using a matrix of 210 hypothetical...