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From intuition to AI: evolution of small molecule representations in drug discovery.
McGibbon, Miles; Shave, Steven; Dong, Jie; Gao, Yumiao; Houston, Douglas R; Xie, Jiancong; Yang, Yuedong; Schwaller, Philippe; Blay, Vincent.
Afiliação
  • McGibbon M; Institute of Quantitative Biology, Biochemistry and Biotechnology, University of Edinburgh, Edinburgh, Scotland EH9 3BF, United Kingdom.
  • Shave S; Institute of Quantitative Biology, Biochemistry and Biotechnology, University of Edinburgh, Edinburgh, Scotland EH9 3BF, United Kingdom.
  • Dong J; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, 410013, China.
  • Gao Y; Institute of Quantitative Biology, Biochemistry and Biotechnology, University of Edinburgh, Edinburgh, Scotland EH9 3BF, United Kingdom.
  • Houston DR; Institute of Quantitative Biology, Biochemistry and Biotechnology, University of Edinburgh, Edinburgh, Scotland EH9 3BF, United Kingdom.
  • Xie J; Key Laboratory of Machine Intelligence and Advanced Computing, Sun Yat-Sen University, Guangzhou, 510000, China.
  • Yang Y; Key Laboratory of Machine Intelligence and Advanced Computing, Sun Yat-Sen University, Guangzhou, 510000, China.
  • Schwaller P; Laboratory of Artificial Chemical Intelligence (LIAC), Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.
  • Blay V; Institute of Quantitative Biology, Biochemistry and Biotechnology, University of Edinburgh, Edinburgh, Scotland EH9 3BF, United Kingdom.
Brief Bioinform ; 25(1)2023 11 22.
Article em En | MEDLINE | ID: mdl-38033290
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Intuição / Descoberta de Drogas Limite: Humans 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 Base de dados: MEDLINE Assunto principal: Intuição / Descoberta de Drogas Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article