DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms.

Wang, Jike; Sun, Huiyong; Chen, Jiawen; Jiang, Dejun; Wang, Zhe; Wu, Zhenxing; Chen, Xi; Cao, Dongsheng; Hou, Tingjun

Wang, Jike; Sun, Huiyong; Chen, Jiawen; Jiang, Dejun; Wang, Zhe; Wu, Zhenxing; Chen, Xi; Cao, Dongsheng; Hou, Tingjun.

Afiliação

Wang J; School of Computer Science, Wuhan University, Wuhan 430072, China.
Sun H; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China.
Chen J; Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing, Jiangsu 210009, China.
Jiang D; Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan, Hubei 430071, China.
Wang Z; School of Computer Science, Wuhan University, Wuhan 430072, China.
Wu Z; School of Computer Science, Wuhan University, Wuhan 430072, China.
Chen X; School of Computer Science, Wuhan University, Wuhan 430072, China.
Cao D; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China.
Hou T; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, Hunan 410004, China.

Bioinformatics ; 37(22): 4255-4257, 2021 11 18.

Article em En | MEDLINE | ID: mdl-34009308

Assuntos

Algoritmos; Computadores; Modelos Moleculares; Física; Aprendizado de Máquina

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Algoritmos / Computadores Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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