Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

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Authors: M. Withnall, E. Lindelöf, O. Engkvist, H. Chen

Journal title: Journal of Cheminformatics

Journal number: 12/1

Journal publisher: Chemistry Central

Published year: 2020

DOI identifier: 10.1186/s13321-019-0407-y

ISSN: 1758-2946