A data science roadmap for open science organizations engaged in early-stage drug discovery.
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| Title: | A data science roadmap for open science organizations engaged in early-stage drug discovery. |
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| Authors: | Edfeldt K; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, Stockholm, Sweden., Edwards AM; Structural Genomics Consortium, University of Toronto, Toronto, ON, Canada., Engkvist O; Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden & Department of Computer Science and Engineering, Chalmers University of Technology, Gothenburg, Sweden., Günther J; Bayer AG Research and Development, Computational Molecular Design, Berlin, Germany., Hartley M; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, UK., Hulcoop DG; Open Targets, Wellcome Genome Campus, Hinxton, Cambridgeshire, UK.; European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge, UK., Leach AR; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, UK., Marsden BD; Centre for Medicines Discovery, NDM, University of Oxford, Oxford, UK., Menge A; Institute of Pharmaceutical Chemistry, Johann Wolfgang Goethe University, Frankfurt am Main, 60438, Germany & Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Johann Wolfgang Goethe University, Frankfurt am Main, Germany., Misquitta L; National Library of Medicine, National Institutes of Health, Bethesda, MD, USA., Müller S; Institute of Pharmaceutical Chemistry, Johann Wolfgang Goethe University, Frankfurt am Main, 60438, Germany & Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Johann Wolfgang Goethe University, Frankfurt am Main, Germany., Owen DR; Pfizer Worldwide Research, Development & Medical, Cambridge, MA, USA., Schütt KT; Pfizer, Worldwide Research, Development and Medical, Machine Learning & Computational Sciences, Berlin, Germany., Skelton N; Department of Discovery Chemistry, Genentech, Inc., South San Francisco, CA, USA., Steffen A; Pfizer, Worldwide Research, Development and Medical, Machine Learning & Computational Sciences, Berlin, Germany., Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA., Vernet E; Digital Science & Innovation, Novo Nordisk A/S, Maaloev, Denmark., Wang Y; National Library of Medicine, National Institutes of Health, Bethesda, MD, USA., Wellnitz J; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA., Willson TM; Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA., Clevert DA; Pfizer, Worldwide Research, Development and Medical, Machine Learning & Computational Sciences, Berlin, Germany. Djork-Arne.Clevert@pfizer.com., Haibe-Kains B; Structural Genomics Consortium, University of Toronto, Toronto, ON, Canada. benjamin.haibe.kains@utoronto.ca.; Princess Margaret Cancer Centre, University Health Network, Toronto, ON, Canada. benjamin.haibe.kains@utoronto.ca.; Department of Medical Biophysics, University of Toronto, Toronto, ON, Canada. benjamin.haibe.kains@utoronto.ca.; Vector Institute for Artificial Intelligence, Toronto, ON, Canada. benjamin.haibe.kains@utoronto.ca., Schiavone LH; Discovery Biology, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden. Lovisa.Holmberg.Schiavone@astrazeneca.com., Schapira M; Structural Genomics Consortium, University of Toronto, Toronto, ON, Canada. matthieu.schapira@utoronto.ca.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, ON, Canada. matthieu.schapira@utoronto.ca. |
| Source: | Nature communications [Nat Commun] 2024 Jul 05; Vol. 15 (1), pp. 5640. Date of Electronic Publication: 2024 Jul 05. |
| Publication Type: | Journal Article; Review |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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