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Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM. (2023)

First Author: Fowles DJ

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/d3cp00199g

PubMed Identifier: 36806875

Publication URI: http://europepmc.org/abstract/MED/36806875

Type: Journal Article/Review

Volume: 25

Parent Publication: Physical chemistry chemical physics : PCCP

Issue: 9

ISSN: 1463-9076