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Explainable machine learning predictions of dual-target compounds reveal characteristic structural features.
Feldmann, Christian; Philipps, Maren; Bajorath, Jürgen.
Afiliação
  • Feldmann C; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, 53115, Bonn, Germany.
  • Philipps M; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, 53115, Bonn, Germany.
  • Bajorath J; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, 53115, Bonn, Germany. bajorath@bit.uni-bonn.de.
Sci Rep ; 11(1): 21594, 2021 11 03.
Article em En | MEDLINE | ID: mdl-34732806
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article