CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.
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| Title: | CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding. |
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| Authors: | Ackloo S; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada., Al-Awar R; Ontario Institute for Cancer Research, Toronto, Ontario, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario, Canada., Amaro RE; Department of Chemistry and Biochemistry, UC San Diego, La Jolla, CA, USA.; Drug Design Data Resource, University of California, San Diego, La Jolla, CA, USA., Arrowsmith CH; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada., Azevedo H; Aché Laboratórios Farmacêuticos, Guarulhos, São Paulo, Brazil., Batey RA; Department of Chemistry, University of Toronto, Toronto, Ontario, Canada., Bengio Y; Mila, University of Montreal, Québec, Canada., Betz UAK; Merck Healthcare KGaA, Darmstadt, Germany., Bologa CG; Department of Internal Medicine, University of New Mexico School of Medicine, University of New Mexico Albuquerque, Albuquerque, NM, USA., Chodera JD; Computational and Systems Biology Program Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY, USA., Cornell WD; Healthcare & Life Sciences Research, IBM TJ Watson Research Center, New York, USA., Dunham I; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, UK.; Open Targets, Wellcome Genome Campus, Hinxton, UK., Ecker GF; Department of Pharmaceutical Sciences, University of Vienna, Vienna, Austria., 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, Ontario, Canada., Gilson MK; Drug Design Data Resource, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, CA, USA., Gordijo CR; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada., Hessler G; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Frankfurt am Main, Germany., Hillisch A; Bayer AG, Pharmaceuticals, Research and Development, Wuppertal, Germany., Hogner A; Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden., Irwin JJ; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA, USA., Jansen JM; Novartis Institutes for BioMedical Research, Emeryville, CA, USA., Kuhn D; Merck Healthcare KGaA, Computational Chemistry & Biologics, Darmstadt, Germany., Leach AR; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, UK.; Open Targets, Wellcome Genome Campus, Hinxton, UK., Lee AA; PostEra Inc, San Franciso, CA, USA.; Department of Physics, University of Cambridge, Cambridge, UK., Lessel U; Boehringer Ingelheim Pharma GmbH & Co. KG, Medicinal Chemistry, Biberach an der Riss, Germany., Morgan MR; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada., Moult J; Institute for Bioscience and Biotechnology Research, Rockville, MD, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, College Park, MD, USA., Muegge I; Alkermes, Inc., Waltham, MA, USA., Oprea TI; Department of Internal Medicine, University of New Mexico School of Medicine, University of New Mexico Albuquerque, Albuquerque, NM, USA.; University of New Mexico Comprehensive Cancer Center, Albuquerque, NM, USA., Perry BG; Drugs for Neglected Diseases initiative, Geneva, Switzerland., Riley P; Relay Therapeutics, Boston, MA, USA., Rousseaux SAL; Department of Chemistry, University of Toronto, Toronto, Ontario, Canada., Saikatendu KS; Global Research Externalization, Takeda California, Inc., San Diego, CA, USA., Santhakumar V; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada., Schapira M; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario, Canada., Scholten C; Bayer AG, Pharmaceuticals, Open Innovation - Public Private Partnerships, Berlin, Germany., Todd MH; School of Pharmacy, University College London, London, UK., Vedadi M; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario, Canada., Volkamer A; In Silico Toxicology and Structural Bioinformatics, Institute of Physiology, Charité Universitätsmedizin Berlin, Berlin, Germany., Willson TM; Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. |
| Source: | Nature reviews. Chemistry [Nat Rev Chem] 2022 Apr; Vol. 6 (4), pp. 287-295. Date of Electronic Publication: 2022 Feb 15. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Springer Nature Country of Publication: England NLM ID: 101703631 Publication Model: Print-Electronic Cited Medium: Print ISSN: 2397-3358 (Print) Linking ISSN: 23973358 NLM ISO Abbreviation: Nat Rev Chem Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 35783295 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Ackloo+S%22">Ackloo S</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Al-Awar+R%22">Al-Awar R</searchLink>; Ontario Institute for Cancer Research, Toronto, Ontario, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Amaro+RE%22">Amaro RE</searchLink>; Department of Chemistry and Biochemistry, UC San Diego, La Jolla, CA, USA.; Drug Design Data Resource, University of California, San Diego, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Arrowsmith+CH%22">Arrowsmith CH</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Azevedo+H%22">Azevedo H</searchLink>; Aché Laboratórios Farmacêuticos, Guarulhos, São Paulo, Brazil.<br /><searchLink fieldCode="AU" term="%22Batey+RA%22">Batey RA</searchLink>; Department of Chemistry, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Bengio+Y%22">Bengio Y</searchLink>; Mila, University of Montreal, Québec, Canada.<br /><searchLink fieldCode="AU" term="%22Betz+UAK%22">Betz UAK</searchLink>; Merck Healthcare KGaA, Darmstadt, Germany.<br /><searchLink fieldCode="AU" term="%22Bologa+CG%22">Bologa CG</searchLink>; Department of Internal Medicine, University of New Mexico School of Medicine, University of New Mexico Albuquerque, Albuquerque, NM, USA.<br /><searchLink fieldCode="AU" term="%22Chodera+JD%22">Chodera JD</searchLink>; Computational and Systems Biology Program Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22Cornell+WD%22">Cornell WD</searchLink>; Healthcare & Life Sciences Research, IBM TJ Watson Research Center, New York, USA.<br /><searchLink fieldCode="AU" term="%22Dunham+I%22">Dunham I</searchLink>; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, UK.; Open Targets, Wellcome Genome Campus, Hinxton, UK.<br /><searchLink fieldCode="AU" term="%22Ecker+GF%22">Ecker GF</searchLink>; Department of Pharmaceutical Sciences, University of Vienna, Vienna, Austria.<br /><searchLink fieldCode="AU" term="%22Edfeldt+K%22">Edfeldt K</searchLink>; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, Stockholm, Sweden.<br /><searchLink fieldCode="AU" term="%22Edwards+AM%22">Edwards AM</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Gilson+MK%22">Gilson MK</searchLink>; Drug Design Data Resource, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Gordijo+CR%22">Gordijo CR</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Hessler+G%22">Hessler G</searchLink>; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Frankfurt am Main, Germany.<br /><searchLink fieldCode="AU" term="%22Hillisch+A%22">Hillisch A</searchLink>; Bayer AG, Pharmaceuticals, Research and Development, Wuppertal, Germany.<br /><searchLink fieldCode="AU" term="%22Hogner+A%22">Hogner A</searchLink>; Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden.<br /><searchLink fieldCode="AU" term="%22Irwin+JJ%22">Irwin JJ</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA, USA.<br /><searchLink fieldCode="AU" term="%22Jansen+JM%22">Jansen JM</searchLink>; Novartis Institutes for BioMedical Research, Emeryville, CA, USA.<br /><searchLink fieldCode="AU" term="%22Kuhn+D%22">Kuhn D</searchLink>; Merck Healthcare KGaA, Computational Chemistry & Biologics, Darmstadt, Germany.<br /><searchLink fieldCode="AU" term="%22Leach+AR%22">Leach AR</searchLink>; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, UK.; Open Targets, Wellcome Genome Campus, Hinxton, UK.<br /><searchLink fieldCode="AU" term="%22Lee+AA%22">Lee AA</searchLink>; PostEra Inc, San Franciso, CA, USA.; Department of Physics, University of Cambridge, Cambridge, UK.<br /><searchLink fieldCode="AU" term="%22Lessel+U%22">Lessel U</searchLink>; Boehringer Ingelheim Pharma GmbH & Co. KG, Medicinal Chemistry, Biberach an der Riss, Germany.<br /><searchLink fieldCode="AU" term="%22Morgan+MR%22">Morgan MR</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Moult+J%22">Moult J</searchLink>; Institute for Bioscience and Biotechnology Research, Rockville, MD, USA.; Department of Cell Biology and Molecular Genetics, University of Maryland, College Park, MD, USA.<br /><searchLink fieldCode="AU" term="%22Muegge+I%22">Muegge I</searchLink>; Alkermes, Inc., Waltham, MA, USA.<br /><searchLink fieldCode="AU" term="%22Oprea+TI%22">Oprea TI</searchLink>; Department of Internal Medicine, University of New Mexico School of Medicine, University of New Mexico Albuquerque, Albuquerque, NM, USA.; University of New Mexico Comprehensive Cancer Center, Albuquerque, NM, USA.<br /><searchLink fieldCode="AU" term="%22Perry+BG%22">Perry BG</searchLink>; Drugs for Neglected Diseases initiative, Geneva, Switzerland.<br /><searchLink fieldCode="AU" term="%22Riley+P%22">Riley P</searchLink>; Relay Therapeutics, Boston, MA, USA.<br /><searchLink fieldCode="AU" term="%22Rousseaux+SAL%22">Rousseaux SAL</searchLink>; Department of Chemistry, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Saikatendu+KS%22">Saikatendu KS</searchLink>; Global Research Externalization, Takeda California, Inc., San Diego, CA, USA.<br /><searchLink fieldCode="AU" term="%22Santhakumar+V%22">Santhakumar V</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Schapira+M%22">Schapira M</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Scholten+C%22">Scholten C</searchLink>; Bayer AG, Pharmaceuticals, Open Innovation - Public Private Partnerships, Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Todd+MH%22">Todd MH</searchLink>; School of Pharmacy, University College London, London, UK.<br /><searchLink fieldCode="AU" term="%22Vedadi+M%22">Vedadi M</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario, Canada.<br /><searchLink fieldCode="AU" term="%22Volkamer+A%22">Volkamer A</searchLink>; In Silico Toxicology and Structural Bioinformatics, Institute of Physiology, Charité Universitätsmedizin Berlin, Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Willson+TM%22">Willson TM</searchLink>; Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101703631%22">Nature reviews. Chemistry</searchLink> [Nat Rev Chem] 2022 Apr; Vol. 6 (4), pp. 287-295. <i>Date of Electronic Publication: </i>2022 Feb 15. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer+Nature%22">Springer Nature </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101703631 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Print <i>ISSN: </i>2397-3358 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2223973358%22">23973358 </searchLink><i>NLM ISO Abbreviation: </i>Nat Rev Chem <i>Subsets: </i>PubMed not MEDLINE |
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