Neu in COSMO-RS 2018 Fast Sigma Profiles The capabilities, range and speed for property predictions in the COSMO-RS module have been vastly improved. Through SMILES strings or xyz files, instantaneous property predictions are now available for molecules of any size. The most accurate predictions are still expected for the original ADF DFT + COSMO-RS parameterization, but a very quick pre-screening can be achieved by these quick property predictors. Fast estimates of COSMO-RS parameters ( sigma profiles, area, volumes) UNIFAC: a fast liquid-phase activity coefficient model Quick QSPR prediction of many physical properties (heat of fusion, density, viscosity, …) A solvent mixture optimization tool (solubilities, liquid-liquid extraction) A new improved 2018 COSMO-RS database (2500+ compounds) Improved ionic liquid parameters
