COSMO-RS – Neu in COSMO-RS 2018

Neu in COSMO-RS 2018

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.

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