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Discovery of novel chemical reactions by deep generative recurrent neural network.
Bort, William; Baskin, Igor I; Gimadiev, Timur; Mukanov, Artem; Nugmanov, Ramil; Sidorov, Pavel; Marcou, Gilles; Horvath, Dragos; Klimchuk, Olga; Madzhidov, Timur; Varnek, Alexandre.
Afiliación
  • Bort W; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.
  • Baskin II; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.
  • Gimadiev T; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, Kremlyovskaya str. 18, 420008, Kazan, Russia.
  • Mukanov A; Department of Materials Science and Engineering, Technion - Israel Institute of Technology, 3200003, Haifa, Israel.
  • Nugmanov R; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, Sapporo, 001-0021, Japan.
  • Sidorov P; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, Kremlyovskaya str. 18, 420008, Kazan, Russia.
  • Marcou G; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, Kremlyovskaya str. 18, 420008, Kazan, Russia.
  • Horvath D; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, Sapporo, 001-0021, Japan.
  • Klimchuk O; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.
  • Madzhidov T; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.
  • Varnek A; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 1, rue Blaise Pascal, 67000, Strasbourg, France.
Sci Rep ; 11(1): 3178, 2021 02 04.
Article en En | MEDLINE | ID: mdl-33542271
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Sci Rep Año: 2021 Tipo del documento: Article País de afiliación: Francia
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Sci Rep Año: 2021 Tipo del documento: Article País de afiliación: Francia