Integer linear programming for unsupervised training set selection in molecular machine learning

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Authors: Matthieu Haeberle, Puck van Gerwen, Ruben Laplaza, Ksenia R. Briling, Jan Weinreich, Friedrich Eisenbrand, Clemence Corminboeuf

Journal publisher: Arxiv

Published year: 2024

DOI identifier: 10.48550/arxiv.2410.16122