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Interpretable Molecular Property Predictions Using Marginalized Graph Kernels.
Xiang, Yan; Tang, Yu-Hang; Lin, Guang; Reker, Daniel.
Afiliação
  • Xiang Y; Department of Biomedical Engineering, Duke University, Durham, North Carolina 27705, United States.
  • Tang YH; Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
  • Lin G; Department of Mathematics & School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47907, United States.
  • Reker D; Department of Biomedical Engineering, Duke University, Durham, North Carolina 27705, United States.
J Chem Inf Model ; 63(15): 4633-4640, 2023 Aug 14.
Article em En | MEDLINE | ID: mdl-37504964
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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article