GeoDILI: A Robust and Interpretable Model for Drug-Induced Liver Injury Prediction Using Graph Neural Network-Based Molecular Geometric Representation.

Wu, Wenxuan; Qian, Jiayu; Liang, Changjie; Yang, Jingya; Ge, Guangbo; Zhou, Qingping; Guan, Xiaoqing

Wu, Wenxuan; Qian, Jiayu; Liang, Changjie; Yang, Jingya; Ge, Guangbo; Zhou, Qingping; Guan, Xiaoqing.

Afiliação

Wu W; Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.
Qian J; School of Mathematics and Statistics, Central South University, Changsha, Hunan 410083, China.
Liang C; Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.
Yang J; School of Mathematics and Statistics, Central South University, Changsha, Hunan 410083, China.
Ge G; Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.
Zhou Q; School of Mathematics and Statistics, Central South University, Changsha, Hunan 410083, China.
Guan X; Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.

Chem Res Toxicol ; 36(11): 1717-1730, 2023 11 20.

Article em En | MEDLINE | ID: mdl-37839069

Assuntos

Doença Hepática Induzida por Substâncias e Drogas; Humanos; Desenvolvimento de Medicamentos; Descoberta de Drogas; Aprendizado de Máquina; Redes Neurais de Computação

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Doença Hepática Induzida por Substâncias e Drogas Limite: Humans Idioma: En Revista: Chem Res Toxicol Assunto da revista: TOXICOLOGIA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: China

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