MolNet: A Chemically Intuitive Graph Neural Network for Prediction of Molecular Properties.

Kim, Yeji; Jeong, Yoonho; Kim, Jihoo; Lee, Eok Kyun; Kim, Won June; Choi, Insung S

Kim, Yeji; Jeong, Yoonho; Kim, Jihoo; Lee, Eok Kyun; Kim, Won June; Choi, Insung S.

Afiliação

Kim Y; Department of Chemistry, KAIST, Daejeon, 34141, Korea.
Jeong Y; Department of Chemistry, KAIST, Daejeon, 34141, Korea.
Kim J; Department of Chemistry, KAIST, Daejeon, 34141, Korea.
Lee EK; Department of Chemistry, KAIST, Daejeon, 34141, Korea.
Kim WJ; Department of Biology and Chemistry, Changwon National University, Changwon, 51140, Korea.
Choi IS; Department of Chemistry, KAIST, Daejeon, 34141, Korea.

Chem Asian J ; 17(16): e202200269, 2022 Aug 15.

Article em En | MEDLINE | ID: mdl-35678087

Assuntos

Redes Neurais de Computação

Palavras-chave

adjacency matrix; deep learning; graph neural networks; molecular representation; protein-ligand binding

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Redes Neurais de Computação Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Chem Asian J Ano de publicação: 2022 Tipo de documento: Article

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