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Rethinking drug design in the artificial intelligence era.

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Title: Rethinking drug design in the artificial intelligence era.
Authors: Schneider P; ETH Zurich, RETHINK, Department of Chemistry and Applied Biosciences, Zurich, Switzerland., Walters WP; Relay Therapeutics, Cambridge, MA, USA., Plowright AT; Sanofi-Aventis Deutschland GmbH, Integrated Drug Discovery, Frankfurt am Main, Germany., Sieroka N; Institute for Philosophy, University of Bremen, Bremen, Germany., Listgarten J; University of California, Berkeley, Electrical Engineering and Computer Science, Berkeley, CA, USA., Goodnow RA Jr; Pharmaron USA LLC, Boston, MA, USA., Fisher J; Department of Biochemistry, University of Cambridge, Cambridge, UK.; UCL Cancer Institute, University College London, London, UK., Jansen JM; Novartis Institutes for BioMedical Research, Emeryville, CA, USA., Duca JS; Novartis Institutes for BioMedical Research, Cambridge, MA, USA., Rush TS; ATOM Consortium, San Francisco, CA, USA., Zentgraf M; Boehringer Ingelheim Pharma GmbH & Co. KG, Medicinal Chemistry, Biberach an der Riss, Germany., Hill JE; Healthy Life Consultants, New York, NY, USA., Krutoholow E; Bloomberg Intelligence, Bloomberg LP, London, UK., Kohler M; ETH Zurich, Department of Architecture, Zurich, Switzerland., Blaney J; Genentech, 1 DNA Way, South San Francisco, CA, USA., Funatsu K; The University of Tokyo, Department of Chemical System Engineering, Tokyo, Japan.; Nara Institute of Science and Technology, Data Science Center, Nara, Japan., Luebkemann C; ETH Zurich, RETHINK, Department of Chemistry and Applied Biosciences, Zurich, Switzerland.; Arup Global Foresight, San Francisco, CA, USA., Schneider G; ETH Zurich, RETHINK, Department of Chemistry and Applied Biosciences, Zurich, Switzerland. gisbert@ethz.ch.
Source: Nature reviews. Drug discovery [Nat Rev Drug Discov] 2020 May; Vol. 19 (5), pp. 353-364. Date of Electronic Publication: 2019 Dec 04.
Publication Type: Journal Article; Review
Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101124171 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1474-1784 (Electronic) Linking ISSN: 14741776 NLM ISO Abbreviation: Nat Rev Drug Discov Subsets: MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Schneider+P%22">Schneider P</searchLink>; ETH Zurich, RETHINK, Department of Chemistry and Applied Biosciences, Zurich, Switzerland.<br /><searchLink fieldCode="AU" term="%22Walters+WP%22">Walters WP</searchLink>; Relay Therapeutics, Cambridge, MA, USA.<br /><searchLink fieldCode="AU" term="%22Plowright+AT%22">Plowright AT</searchLink>; Sanofi-Aventis Deutschland GmbH, Integrated Drug Discovery, Frankfurt am Main, Germany.<br /><searchLink fieldCode="AU" term="%22Sieroka+N%22">Sieroka N</searchLink>; Institute for Philosophy, University of Bremen, Bremen, Germany.<br /><searchLink fieldCode="AU" term="%22Listgarten+J%22">Listgarten J</searchLink>; University of California, Berkeley, Electrical Engineering and Computer Science, Berkeley, CA, USA.<br /><searchLink fieldCode="AU" term="%22Goodnow+RA+Jr%22">Goodnow RA Jr</searchLink>; Pharmaron USA LLC, Boston, MA, USA.<br /><searchLink fieldCode="AU" term="%22Fisher+J%22">Fisher J</searchLink>; Department of Biochemistry, University of Cambridge, Cambridge, UK.; UCL Cancer Institute, University College London, London, UK.<br /><searchLink fieldCode="AU" term="%22Jansen+JM%22">Jansen JM</searchLink>; Novartis Institutes for BioMedical Research, Emeryville, CA, USA.<br /><searchLink fieldCode="AU" term="%22Duca+JS%22">Duca JS</searchLink>; Novartis Institutes for BioMedical Research, Cambridge, MA, USA.<br /><searchLink fieldCode="AU" term="%22Rush+TS%22">Rush TS</searchLink>; ATOM Consortium, San Francisco, CA, USA.<br /><searchLink fieldCode="AU" term="%22Zentgraf+M%22">Zentgraf M</searchLink>; Boehringer Ingelheim Pharma GmbH & Co. KG, Medicinal Chemistry, Biberach an der Riss, Germany.<br /><searchLink fieldCode="AU" term="%22Hill+JE%22">Hill JE</searchLink>; Healthy Life Consultants, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22Krutoholow+E%22">Krutoholow E</searchLink>; Bloomberg Intelligence, Bloomberg LP, London, UK.<br /><searchLink fieldCode="AU" term="%22Kohler+M%22">Kohler M</searchLink>; ETH Zurich, Department of Architecture, Zurich, Switzerland.<br /><searchLink fieldCode="AU" term="%22Blaney+J%22">Blaney J</searchLink>; Genentech, 1 DNA Way, South San Francisco, CA, USA.<br /><searchLink fieldCode="AU" term="%22Funatsu+K%22">Funatsu K</searchLink>; The University of Tokyo, Department of Chemical System Engineering, Tokyo, Japan.; Nara Institute of Science and Technology, Data Science Center, Nara, Japan.<br /><searchLink fieldCode="AU" term="%22Luebkemann+C%22">Luebkemann C</searchLink>; ETH Zurich, RETHINK, Department of Chemistry and Applied Biosciences, Zurich, Switzerland.; Arup Global Foresight, San Francisco, CA, USA.<br /><searchLink fieldCode="AU" term="%22Schneider+G%22">Schneider G</searchLink>; ETH Zurich, RETHINK, Department of Chemistry and Applied Biosciences, Zurich, Switzerland. gisbert@ethz.ch.
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