Metric learning for kernel ridge regression: assessment of molecular similarity

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Authors: Raimon Fabregat; Puck van Gerwen; Matthieu Haeberle; Friedrich Eisenbrand; Clémence Corminboeuf

Journal title: Machine Learning: Science and Technology

Journal number: 26322153

Journal publisher: IOP publishing

Published year: 2022

Published pages: 035015

DOI identifier: 10.1088/2632-2153/ac8e4f

ISSN: 2632-2153