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Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning.
Nippa, David F; Atz, Kenneth; Hohler, Remo; Müller, Alex T; Marx, Andreas; Bartelmus, Christian; Wuitschik, Georg; Marzuoli, Irene; Jost, Vera; Wolfard, Jens; Binder, Martin; Stepan, Antonia F; Konrad, David B; Grether, Uwe; Martin, Rainer E; Schneider, Gisbert.
Afiliación
  • Nippa DF; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Atz K; Department of Pharmacy, Ludwig-Maximilians-Universität München, Munich, Germany.
  • Hohler R; Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, Switzerland.
  • Müller AT; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Marx A; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Bartelmus C; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Wuitschik G; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Marzuoli I; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Jost V; Process Chemistry and Catalysis (PCC), F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Wolfard J; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Binder M; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Stepan AF; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Konrad DB; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.
  • Grether U; Department of Pharmacy, Ludwig-Maximilians-Universität München, Munich, Germany. david.konrad@cup.lmu.de.
  • Martin RE; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland. uwe.grether@roche.com.
  • Schneider G; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland. rainer_e.martin@roche.com.
Nat Chem ; 16(2): 239-248, 2024 Feb.
Article en En | MEDLINE | ID: mdl-37996732
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Aprendizaje Profundo Idioma: En Revista: Nat Chem Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Suiza
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Aprendizaje Profundo Idioma: En Revista: Nat Chem Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Suiza