Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set

Jens Reinisch, Andreas Klamt, Michael Diedenhofen. Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set. Journal of Computer-Aided Molecular Design, 26(5):669-673, 2012. [doi]

Abstract

Abstract is missing.