Selected machine learning of HOMO–LUMO gaps with improved data-efficiency

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Authors: Bernard Mazouin, Alexandre Alain Schöpfer, O. Anatole von Lilienfeld

Journal title: Materials Advances

Journal number: 3

Journal publisher: RSC

Published year: 2024

Published pages: 8306-8316

DOI identifier: 10.1039/d2ma00742h

ISSN: 2633-5409