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Fusing 2D and 3D molecular graphs as unambiguous molecular descriptors for conformational and chiral stereoisomers.
Du, Wenjie; Yang, Xiaoting; Wu, Di; Ma, FenFen; Zhang, Baicheng; Bao, Chaochao; Huo, Yaoyuan; Jiang, Jun; Chen, Xin; Wang, Yang.
  • Du W; School of Software Engineering, University of Science and Technology of China, Hefei 230026, China.
  • Yang X; Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou, Jiangsu 215123, China.
  • Wu D; Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou, Jiangsu 215123, China.
  • Ma F; School of Computer Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Zhang B; School of Software Engineering, University of Science and Technology of China, Hefei 230026, China.
  • Bao C; Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou, Jiangsu 215123, China.
  • Huo Y; Suzhou Laboratory , Suzhou 215123, Jiangsu, China.
  • Jiang J; School of Chemistry and Materials Science, University of Science and Technology of China, Hefei 230026, China.
  • Chen X; Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou, Jiangsu 215123, China.
  • Wang Y; Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou, Jiangsu 215123, China.
Brief Bioinform ; 24(1)2023 01 19.
Article en En | MEDLINE | ID: mdl-36528804
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Aprendizaje Automático Tipo de estudio: Prognostic_studies Idioma: En Año: 2023 Tipo del documento: Article
Texto completo
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XML
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Aprendizaje Automático Tipo de estudio: Prognostic_studies Idioma: En Año: 2023 Tipo del documento: Article