Our COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) program allows the prediction of many properties of pure fluids, fluid mixtures, and solutions:
A database with 1892 compounds (solvents and small molecules) facilitates easy and instantaneous predictions of log P, solubilities, and other properties. Parameters for other molecules are easily created with ADF calculations using the COSMO-RS preset. Tutorials show step-by-step how to set up COSMO-RS property calculations with the GUI.
COSMO-RS calculated log P values (octanol-water partitioning coefficients, kow) in good agreement with experiment
The COSMO charge density on a COSMO surface (Computed separately with ADF and visualized with ADFview)
Try out COSMO-RS yourself for predicting log P values, solubilities, pKa, etc.: request a free trial.
Evaluate our fully functional ADF modeling suite for 30 days on any machine at your organization, with access to full technical support.
If you have any other questions about COSMO-RS or our computational chemistry suite in general, please e-mail us.