Digital Discovery
Accurately predicting solvation free energy in aqueous and organic solvents beyond 298 K by combining deep learning and the 1D reference interaction site model
Digital Discovery, 2023, Advance ArticleDOI: 10.1039/D2DD00103A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Daniel J. Fowles, Rose G. McHardy, Abdullah Ahmad, David S. PalmerpyRISM combine…