Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation

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Authors: Jan Weinreich, Nicholas J. Browning, O. Anatole von Lilienfeld

Journal title: The Journal of Chemical Physics

Journal number: 154/13

Journal publisher: American Institute of Physics

Published year: 2021

Published pages: 134113

DOI identifier: 10.1063/5.0041548

ISSN: 0021-9606