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Accurately predicting solvation free energy in aqueous and organic solvents beyond 298 K by combining deep learning and the 1D reference interaction site model (2023)

First Author: Fowles D

Attributed to: Accelerated Discovery and Development of New Medicines: Prosperity Partnership for a Healthier Nation funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1039/d2dd00103a

Publication URI: http://dx.doi.org/10.1039/d2dd00103a

Type: Journal Article/Review

Parent Publication: Digital Discovery

Issue: 1