EdgeSHAPer: Bond-centric Shapley value-based explanation method for graph neural networks.

Mastropietro, Andrea; Pasculli, Giuseppe; Feldmann, Christian; Rodríguez-Pérez, Raquel; Bajorath, Jürgen

Mastropietro, Andrea; Pasculli, Giuseppe; Feldmann, Christian; Rodríguez-Pérez, Raquel; Bajorath, Jürgen.

Afiliação

Mastropietro A; Department of Computer, Control, and Management Engineering Antonio Ruberti (DIAG), Sapienza University, Rome, Italy.
Pasculli G; Department of Computer, Control, and Management Engineering Antonio Ruberti (DIAG), Sapienza University, Rome, Italy.
Feldmann C; Department of Life Science Informatics and Data Science, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 5/6, 53115 Bonn, Germany.
Rodríguez-Pérez R; Department of Life Science Informatics and Data Science, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 5/6, 53115 Bonn, Germany.
Bajorath J; Novartis Institutes for Biomedical Research, Novartis Campus, 4002 Basel, Switzerland.

iScience ; 25(10): 105043, 2022 Oct 21.

Article em En | MEDLINE | ID: mdl-36134335

Palavras-chave

Artificial intelligence; Bioinformatics; Drugs

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: IScience Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Itália

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