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Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism.
Yu, Jiahui; Wang, Jike; Zhao, Hong; Gao, Junbo; Kang, Yu; Cao, Dongsheng; Wang, Zhe; Hou, Tingjun.
Afiliação
  • Yu J; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Wang J; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Zhao H; School of Computer Science, Wuhan University, Wuhan 430072, Hubei, P. R. China.
  • Gao J; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Kang Y; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Cao D; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
  • Wang Z; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410004, Hunan, P. R. China.
  • Hou T; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China.
J Chem Inf Model ; 62(12): 2973-2986, 2022 06 27.
Article em En | MEDLINE | ID: mdl-35675668
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Redes Neurais de Computação / Aprendizado de Máquina Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Redes Neurais de Computação / Aprendizado de Máquina Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2022 Tipo de documento: Article