Human-in-the-loop active learning for goal-oriented molecule generation

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Authors: Yasmine Nahal, Janosch Menke, Julien Martinelli, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski

Journal title: Journal of Cheminformatics

Journal number: 16

Journal publisher: Chemistry Central

Published year: 2024

DOI identifier: 10.1186/s13321-024-00924-y

ISSN: 1758-2946