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Leveraging molecular structure and bioactivity with chemical language models for de novo drug design.
Moret, Michael; Pachon Angona, Irene; Cotos, Leandro; Yan, Shen; Atz, Kenneth; Brunner, Cyrill; Baumgartner, Martin; Grisoni, Francesca; Schneider, Gisbert.
Afiliação
  • Moret M; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland.
  • Pachon Angona I; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland.
  • Cotos L; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland.
  • Yan S; University of Zurich, University Children's Hospital, Children's Research Center, Pediatric Molecular Neuro-Oncology Research, Lengghalde 5, 8008, Zurich, Switzerland.
  • Atz K; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland.
  • Brunner C; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland.
  • Baumgartner M; University of Zurich, University Children's Hospital, Children's Research Center, Pediatric Molecular Neuro-Oncology Research, Lengghalde 5, 8008, Zurich, Switzerland.
  • Grisoni F; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland. f.grisoni@tue.nl.
  • Schneider G; Eindhoven University of Technology, Institute for Complex Molecular Systems and Eindhoven Artificial Intelligence Systems Institute, Department of Biomedical Engineering, Groene Loper 7, 5612AZ, Eindhoven, The Netherlands. f.grisoni@tue.nl.
Nat Commun ; 14(1): 114, 2023 01 07.
Article em En | MEDLINE | ID: mdl-36611029
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Fosfatidilinositol 3-Quinases / Proteínas Proto-Oncogênicas c-akt Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Fosfatidilinositol 3-Quinases / Proteínas Proto-Oncogênicas c-akt Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article