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Conditional Molecular Generation Net Enables Automated Structure Elucidation Based on 13C NMR Spectra and Prior Knowledge.
Yao, Lin; Yang, Minjian; Song, Jianfei; Yang, Zhuo; Sun, Hanyu; Shi, Hui; Liu, Xue; Ji, Xiangyang; Deng, Yafeng; Wang, Xiaojian.
Afiliação
  • Yao L; CarbonSilicon AI Technology Co., Ltd., Beijing 100080, China.
  • Yang M; State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Peking Union Medical College and Chinese Academy of Medical Sciences, Beijing 100050, China.
  • Song J; CarbonSilicon AI Technology Co., Ltd., Beijing 100080, China.
  • Yang Z; CarbonSilicon AI Technology Co., Ltd., Beijing 100080, China.
  • Sun H; State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Peking Union Medical College and Chinese Academy of Medical Sciences, Beijing 100050, China.
  • Shi H; CarbonSilicon AI Technology Co., Ltd., Beijing 100080, China.
  • Liu X; State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Peking Union Medical College and Chinese Academy of Medical Sciences, Beijing 100050, China.
  • Ji X; Department of Automation, Tsinghua University, Beijing 100084, China.
  • Deng Y; CarbonSilicon AI Technology Co., Ltd., Beijing 100080, China.
  • Wang X; Department of Automation, Tsinghua University, Beijing 100084, China.
Anal Chem ; 95(12): 5393-5401, 2023 Mar 28.
Article em En | MEDLINE | ID: mdl-36926883
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE 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 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article