"Explaining compound activity predictions with a substructure-aware loss ..."

Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna (2023)

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DOI: 10.1186/S13321-023-00733-9

access: open

type: Journal Article

metadata version: 2023-07-28

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  dblp key:
  - journals/jcheminf/AmaraRJ23
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  - https://dblp.org/rec/journals/jcheminf/AmaraRJ23
Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna:
Explaining compound activity predictions with a substructure-aware loss for graph neural networks. J. Cheminformatics 15(1): 67 (2023)

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