A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.
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| Title: | A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data. |
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| Authors: | MacDermott-Opeskin H; Open Molecular Software Foundation, Davis, California 95618, United States., Scheen J; Open Molecular Software Foundation, Davis, California 95618, United States., Wognum C; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., Horton JT; Open Molecular Software Foundation, Davis, California 95618, United States., West D; Open Molecular Software Foundation, Davis, California 95618, United States., Payne AM; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.; Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, New York 10065-6007, United States., Castellanos MA; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States., Colby S; Open Molecular Software Foundation, Davis, California 95618, United States., Griffen E; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K., Cousins D; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K., Stacey J; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K., Reid L; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K., Aschenbrenner JC; Diamond Light Source, Didcot OX11 0DE, U.K., Fearon D; Diamond Light Source, Didcot OX11 0DE, U.K., Balcomb B; Diamond Light Source, Didcot OX11 0DE, U.K., Marples P; Diamond Light Source, Didcot OX11 0DE, U.K., Tomlinson CWE; Diamond Light Source, Didcot OX11 0DE, U.K., Lithgo R; Diamond Light Source, Didcot OX11 0DE, U.K., Godoy AS; University of Sao Paulo, São Carlos 05508-900, Brazil., Winokan M; Diamond Light Source, Didcot OX11 0DE, U.K., Barr H; Weizmann Institute of Science, Rehovot 76100, Israel., Lahav N; Weizmann Institute of Science, Rehovot 76100, Israel., Lavi M; Weizmann Institute of Science, Rehovot 76100, Israel., Duberstein S; Weizmann Institute of Science, Rehovot 76100, Israel., Cohen G; Weizmann Institute of Science, Rehovot 76100, Israel., Fate G; Thames Pharma Partners, Mystic, Connecticut 06355, United States., Lefker B; Thames Pharma Partners, Mystic, Connecticut 06355, United States., Robinson R; Thames Pharma Partners, Mystic, Connecticut 06355, United States., Szommer T; Centre for Medicines Discovery, University of Oxford, Oxford OX3 7FZ, U.K., Lynch N; Curlew Research, Macclesfield SK10 4TG, U.K., Minh DDL; Illinois Institute of Technology, Chicago, Illinois 60616, United States., La VNT; Illinois Institute of Technology, Chicago, Illinois 60616, United States., Kang L; University of Massachusetts Amherst, Amherst, Massachusetts 01003, United States., Huddleston K; Open Molecular Software Foundation, Davis, California 95618, United States., Renslow R; Open Molecular Software Foundation, Davis, California 95618, United States., Tollefson M; Open Molecular Software Foundation, Davis, California 95618, United States., Walters WP; Relay Therapeutics, Cambridge, Massachusetts 02139, United States., Xu C; Open Molecular Software Foundation, Davis, California 95618, United States., Hsu J; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., St-Laurent J; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., Etsmoberg H; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., Zhu L; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., Quirke A; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., Abdul Haleem MI; Life Pharma FZE, JAFZA Jebel Ali, Dubai, UAE., Alibay I; Open Molecular Software Foundation, Davis, California 95618, United States., Baid G; Inductive Bio, New York, New York 11238-5086, United States., Birnbaum B; Inductive Bio, New York, New York 11238-5086, United States., Bishop KP; Ontario Institute for Cancer Research, Toronto, ON M5G 0A3, Canada., Bohorquez H; Ontario Institute for Cancer Research, Toronto, ON M5G 0A3, Canada., Bose A; University of Luxembourg, Luxembourg City L-1511, Luxembourg., Brown CJ; Alpha29, LLC, 2259 Trevor Court, Lincoln, Nebraska 68512, United States., Burns J; MIT, Cambridge, Massachusetts 02139, United States., Cai L; University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Cedeno R; Novalix, Strasbourg 67000, France., de Cesco S; Galapagos NV, Mechelen 2800, Belgium., Chupakhin V; Simulations Plus, Research Triangle Park, Durham, North Carolina 27709, United States., Clark F; Newcastle University, Newcastle upon Tyne NE1 7RU, U.K., Cole DJ; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, U.K., Corbi-Verge C; Recursion, Salt Lake City, Utah 84101, United States., Danial M; Shenzhen Institute of Synthetic Biology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China., Davi A; Owkin, New York, New York 10010, United States., Dehaen W; Department of Organic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.; Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic., Doering NP; Freie Universität Berlin, Berlin 14195, Germany., Dougha A; BFA, Université Paris Cité, CNRS UMR 8251, Inserm U1133, Paris 75013, France., Dréanic MP; Galapagos NV, Mechelen 2800, Belgium., Eakin B; Inductive Bio, New York, New York 11238-5086, United States., Ehrlich A; University of Vienna, Vienna 1010, Austria., Elijosius R; University of Cambridge, Cambridge CB2 1PZ, U.K., Fülöp J; Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic., Gitter A; University of Wisconsin-Madison, Madison, Wisconsin 53715, United States.; Morgridge Institute for Research, Madison, Wisconsin 53715, United States., Goossens K; Galapagos NV, Mechelen 2800, Belgium., Gu Y; New York University, New York, New York 10012-1126, United States., Head-Gordon T; University of California Berkeley, Berkeley, California 94720, United States., Hoffer L; Ontario Institute for Cancer Research, Toronto, ON M5G 0A3, Canada., Hofmans J; Galapagos NV, Mechelen 2800, Belgium., Jiang E; University of Vienna, Vienna 1010, Austria., Kaminow B; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States., Khosravi S; Mashhad University of Medical Sciences, Mashhad, Khorasan Razavi 9177899191, Iran., Khoualdi AF; Newcastle University, Newcastle upon Tyne NE1 7RU, U.K., Lenselink EB; Galapagos NV, Mechelen 2800, Belgium., Liu Z; Peking University, Beijing 100871, China., Liu Y; University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Liu S; Freie Universität Berlin, Berlin 14195, Germany., Ma Y; QuantaBricks, Newark, New Jersey 07103, United States., Maher P; Inductive Bio, New York, New York 11238-5086, United States., Mayer I; Owkin, New York, New York 10010, United States., Mendez-Lucio O; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States., Mey ASJS; University of Edinburgh, Edinburgh, Scotland EH9 3FJ, U.K., Michel J; University of Edinburgh, Edinburgh, Scotland EH9 3FJ, U.K., Montanari F; Owkin, New York, New York 10010, United States., Niu T; University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Ogino R; Japan Tobacco Inc., Minato City, Tokyo 105-6927, Japan., Palaniappan A; SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India., Pan X; New York University, New York, New York 10012-1126, United States., Patnaik A; University of Edinburgh, Edinburgh, Scotland EH9 3FJ, U.K., Pham LH; Imperial College London, London W12 0BZ, U.K., Pinto L; Independent Researcher, 5 Parv. Alan Turing, Paris 75013, France., Purnomo J; University of California Berkeley, Berkeley, California 94720, United States., Rich A; Inductive Bio, New York, New York 11238-5086, United States., Schaaf L; University of Cambridge, Cambridge CB2 1PZ, U.K., Schran C; University of Cambridge, Cambridge CB2 1PZ, U.K., Singh RK; Shiv Nadar University, Greater Noida, Uttar Pradesh 201314, India., Srilakshmi M; SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India., Srivastava SP; Shiv Nadar University, Greater Noida, Uttar Pradesh 201314, India., Sun K; University of California Berkeley, Berkeley, California 94720, United States., Sun Z; Shenzhen University of Advanced Technology, Shenzhen 518107, China., Talagayev V; Freie Universität Berlin, Berlin 14195, Germany., Thirukonda Subramanian Balakrishnan B; Heidelberg University, Im Neuenheimer Feld 224, Heidelberg 69120, Germany., Titus I; SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India., Tkatchenko A; University of Luxembourg, Luxembourg City L-1511, Luxembourg., Treyde W; University of Oxford, Oxford OX1 3PS, U.K., Tricarico G; Galapagos NV, Mechelen 2800, Belgium., Tripp A; Valence Laboratories, Montreal, Quebec H2S 3G9, Canada., Vithayapalert N; VISTEC, Pa Yup Nai 21210, Thailand., Wang Y; University of California Berkeley, Berkeley, California 94720, United States., Wasi AT; Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh., Wedig S; University of Cambridge, Cambridge CB2 1PZ, U.K., Wolber G; Freie Universität Berlin, Berlin 14195, Germany., Xu B; Peking University, Beijing 100871, China., Zhou W; New York University, New York, New York 10012-1126, United States., von Delft F; Diamond Light Source, Didcot OX11 0DE, U.K., Lee A; PostEra, Cambridge, Massachusetts 02142, United States., Kirkegaard K; Stanford University School of Medicine, Stanford, California 94305-5101, United States., Sjö P; Drugs for Neglected Diseases Initiative, Geneva 1202, Switzerland., Fraser JS; University of California San Francisco, San Francisco, California 94115, United States., Chodera JD; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2026 Mar 23; Vol. 66 (6), pp. 3129-3149. Date of Electronic Publication: 2026 Feb 26. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 41749419 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22MacDermott-Opeskin+H%22">MacDermott-Opeskin H</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Scheen+J%22">Scheen J</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Wognum+C%22">Wognum C</searchLink>; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Horton+JT%22">Horton JT</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22West+D%22">West D</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Payne+AM%22">Payne AM</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.; Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, New York 10065-6007, United States.<br /><searchLink fieldCode="AU" term="%22Castellanos+MA%22">Castellanos MA</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.<br /><searchLink fieldCode="AU" term="%22Colby+S%22">Colby S</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Griffen+E%22">Griffen E</searchLink>; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K.<br /><searchLink fieldCode="AU" term="%22Cousins+D%22">Cousins D</searchLink>; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K.<br /><searchLink fieldCode="AU" term="%22Stacey+J%22">Stacey J</searchLink>; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K.<br /><searchLink fieldCode="AU" term="%22Reid+L%22">Reid L</searchLink>; MedChemica Consultancy Ltd, Macclesfield SK10 4TG, U.K.<br /><searchLink fieldCode="AU" term="%22Aschenbrenner+JC%22">Aschenbrenner JC</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Fearon+D%22">Fearon D</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Balcomb+B%22">Balcomb B</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Marples+P%22">Marples P</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Tomlinson+CWE%22">Tomlinson CWE</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Lithgo+R%22">Lithgo R</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Godoy+AS%22">Godoy AS</searchLink>; University of Sao Paulo, São Carlos 05508-900, Brazil.<br /><searchLink fieldCode="AU" term="%22Winokan+M%22">Winokan M</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Barr+H%22">Barr H</searchLink>; Weizmann Institute of Science, Rehovot 76100, Israel.<br /><searchLink fieldCode="AU" term="%22Lahav+N%22">Lahav N</searchLink>; Weizmann Institute of Science, Rehovot 76100, Israel.<br /><searchLink fieldCode="AU" term="%22Lavi+M%22">Lavi M</searchLink>; Weizmann Institute of Science, Rehovot 76100, Israel.<br /><searchLink fieldCode="AU" term="%22Duberstein+S%22">Duberstein S</searchLink>; Weizmann Institute of Science, Rehovot 76100, Israel.<br /><searchLink fieldCode="AU" term="%22Cohen+G%22">Cohen G</searchLink>; Weizmann Institute of Science, Rehovot 76100, Israel.<br /><searchLink fieldCode="AU" term="%22Fate+G%22">Fate G</searchLink>; Thames Pharma Partners, Mystic, Connecticut 06355, United States.<br /><searchLink fieldCode="AU" term="%22Lefker+B%22">Lefker B</searchLink>; Thames Pharma Partners, Mystic, Connecticut 06355, United States.<br /><searchLink fieldCode="AU" term="%22Robinson+R%22">Robinson R</searchLink>; Thames Pharma Partners, Mystic, Connecticut 06355, United States.<br /><searchLink fieldCode="AU" term="%22Szommer+T%22">Szommer T</searchLink>; Centre for Medicines Discovery, University of Oxford, Oxford OX3 7FZ, U.K.<br /><searchLink fieldCode="AU" term="%22Lynch+N%22">Lynch N</searchLink>; Curlew Research, Macclesfield SK10 4TG, U.K.<br /><searchLink fieldCode="AU" term="%22Minh+DDL%22">Minh DDL</searchLink>; Illinois Institute of Technology, Chicago, Illinois 60616, United States.<br /><searchLink fieldCode="AU" term="%22La+VNT%22">La VNT</searchLink>; Illinois Institute of Technology, Chicago, Illinois 60616, United States.<br /><searchLink fieldCode="AU" term="%22Kang+L%22">Kang L</searchLink>; University of Massachusetts Amherst, Amherst, Massachusetts 01003, United States.<br /><searchLink fieldCode="AU" term="%22Huddleston+K%22">Huddleston K</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Renslow+R%22">Renslow R</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Tollefson+M%22">Tollefson M</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Walters+WP%22">Walters WP</searchLink>; Relay Therapeutics, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Xu+C%22">Xu C</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Hsu+J%22">Hsu J</searchLink>; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22St-Laurent+J%22">St-Laurent J</searchLink>; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Etsmoberg+H%22">Etsmoberg H</searchLink>; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Zhu+L%22">Zhu L</searchLink>; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Quirke+A%22">Quirke A</searchLink>; Valence Laboratories, Montréal, Québec H2S 3G9, Canada.; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Abdul+Haleem+MI%22">Abdul Haleem MI</searchLink>; Life Pharma FZE, JAFZA Jebel Ali, Dubai, UAE.<br /><searchLink fieldCode="AU" term="%22Alibay+I%22">Alibay I</searchLink>; Open Molecular Software Foundation, Davis, California 95618, United States.<br /><searchLink fieldCode="AU" term="%22Baid+G%22">Baid G</searchLink>; Inductive Bio, New York, New York 11238-5086, United States.<br /><searchLink fieldCode="AU" term="%22Birnbaum+B%22">Birnbaum B</searchLink>; Inductive Bio, New York, New York 11238-5086, United States.<br /><searchLink fieldCode="AU" term="%22Bishop+KP%22">Bishop KP</searchLink>; Ontario Institute for Cancer Research, Toronto, ON M5G 0A3, Canada.<br /><searchLink fieldCode="AU" term="%22Bohorquez+H%22">Bohorquez H</searchLink>; Ontario Institute for Cancer Research, Toronto, ON M5G 0A3, Canada.<br /><searchLink fieldCode="AU" term="%22Bose+A%22">Bose A</searchLink>; University of Luxembourg, Luxembourg City L-1511, Luxembourg.<br /><searchLink fieldCode="AU" term="%22Brown+CJ%22">Brown CJ</searchLink>; Alpha29, LLC, 2259 Trevor Court, Lincoln, Nebraska 68512, United States.<br /><searchLink fieldCode="AU" term="%22Burns+J%22">Burns J</searchLink>; MIT, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Cai+L%22">Cai L</searchLink>; University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.<br /><searchLink fieldCode="AU" term="%22Cedeno+R%22">Cedeno R</searchLink>; Novalix, Strasbourg 67000, France.<br /><searchLink fieldCode="AU" term="%22de+Cesco+S%22">de Cesco S</searchLink>; Galapagos NV, Mechelen 2800, Belgium.<br /><searchLink fieldCode="AU" term="%22Chupakhin+V%22">Chupakhin V</searchLink>; Simulations Plus, Research Triangle Park, Durham, North Carolina 27709, United States.<br /><searchLink fieldCode="AU" term="%22Clark+F%22">Clark F</searchLink>; Newcastle University, Newcastle upon Tyne NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Cole+DJ%22">Cole DJ</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Corbi-Verge+C%22">Corbi-Verge C</searchLink>; Recursion, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Danial+M%22">Danial M</searchLink>; Shenzhen Institute of Synthetic Biology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China.<br /><searchLink fieldCode="AU" term="%22Davi+A%22">Davi A</searchLink>; Owkin, New York, New York 10010, United States.<br /><searchLink fieldCode="AU" term="%22Dehaen+W%22">Dehaen W</searchLink>; Department of Organic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.; Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Doering+NP%22">Doering NP</searchLink>; Freie Universität Berlin, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Dougha+A%22">Dougha A</searchLink>; BFA, Université Paris Cité, CNRS UMR 8251, Inserm U1133, Paris 75013, France.<br /><searchLink fieldCode="AU" term="%22Dréanic+MP%22">Dréanic MP</searchLink>; Galapagos NV, Mechelen 2800, Belgium.<br /><searchLink fieldCode="AU" term="%22Eakin+B%22">Eakin B</searchLink>; Inductive Bio, New York, New York 11238-5086, United States.<br /><searchLink fieldCode="AU" term="%22Ehrlich+A%22">Ehrlich A</searchLink>; University of Vienna, Vienna 1010, Austria.<br /><searchLink fieldCode="AU" term="%22Elijosius+R%22">Elijosius R</searchLink>; University of Cambridge, Cambridge CB2 1PZ, U.K.<br /><searchLink fieldCode="AU" term="%22Fülöp+J%22">Fülöp J</searchLink>; Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Gitter+A%22">Gitter A</searchLink>; University of Wisconsin-Madison, Madison, Wisconsin 53715, United States.; Morgridge Institute for Research, Madison, Wisconsin 53715, United States.<br /><searchLink fieldCode="AU" term="%22Goossens+K%22">Goossens K</searchLink>; Galapagos NV, Mechelen 2800, Belgium.<br /><searchLink fieldCode="AU" term="%22Gu+Y%22">Gu Y</searchLink>; New York University, New York, New York 10012-1126, United States.<br /><searchLink fieldCode="AU" term="%22Head-Gordon+T%22">Head-Gordon T</searchLink>; University of California Berkeley, Berkeley, California 94720, United States.<br /><searchLink fieldCode="AU" term="%22Hoffer+L%22">Hoffer L</searchLink>; Ontario Institute for Cancer Research, Toronto, ON M5G 0A3, Canada.<br /><searchLink fieldCode="AU" term="%22Hofmans+J%22">Hofmans J</searchLink>; Galapagos NV, Mechelen 2800, Belgium.<br /><searchLink fieldCode="AU" term="%22Jiang+E%22">Jiang E</searchLink>; University of Vienna, Vienna 1010, Austria.<br /><searchLink fieldCode="AU" term="%22Kaminow+B%22">Kaminow B</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.<br /><searchLink fieldCode="AU" term="%22Khosravi+S%22">Khosravi S</searchLink>; Mashhad University of Medical Sciences, Mashhad, Khorasan Razavi 9177899191, Iran.<br /><searchLink fieldCode="AU" term="%22Khoualdi+AF%22">Khoualdi AF</searchLink>; Newcastle University, Newcastle upon Tyne NE1 7RU, U.K.<br /><searchLink fieldCode="AU" term="%22Lenselink+EB%22">Lenselink EB</searchLink>; Galapagos NV, Mechelen 2800, Belgium.<br /><searchLink fieldCode="AU" term="%22Liu+Z%22">Liu Z</searchLink>; Peking University, Beijing 100871, China.<br /><searchLink fieldCode="AU" term="%22Liu+Y%22">Liu Y</searchLink>; University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.<br /><searchLink fieldCode="AU" term="%22Liu+S%22">Liu S</searchLink>; Freie Universität Berlin, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Ma+Y%22">Ma Y</searchLink>; QuantaBricks, Newark, New Jersey 07103, United States.<br /><searchLink fieldCode="AU" term="%22Maher+P%22">Maher P</searchLink>; Inductive Bio, New York, New York 11238-5086, United States.<br /><searchLink fieldCode="AU" term="%22Mayer+I%22">Mayer I</searchLink>; Owkin, New York, New York 10010, United States.<br /><searchLink fieldCode="AU" term="%22Mendez-Lucio+O%22">Mendez-Lucio O</searchLink>; Recursion Pharmaceuticals, Salt Lake City, Utah 84101, United States.<br /><searchLink fieldCode="AU" term="%22Mey+ASJS%22">Mey ASJS</searchLink>; University of Edinburgh, Edinburgh, Scotland EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Michel+J%22">Michel J</searchLink>; University of Edinburgh, Edinburgh, Scotland EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Montanari+F%22">Montanari F</searchLink>; Owkin, New York, New York 10010, United States.<br /><searchLink fieldCode="AU" term="%22Niu+T%22">Niu T</searchLink>; University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.<br /><searchLink fieldCode="AU" term="%22Ogino+R%22">Ogino R</searchLink>; Japan Tobacco Inc., Minato City, Tokyo 105-6927, Japan.<br /><searchLink fieldCode="AU" term="%22Palaniappan+A%22">Palaniappan A</searchLink>; SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India.<br /><searchLink fieldCode="AU" term="%22Pan+X%22">Pan X</searchLink>; New York University, New York, New York 10012-1126, United States.<br /><searchLink fieldCode="AU" term="%22Patnaik+A%22">Patnaik A</searchLink>; University of Edinburgh, Edinburgh, Scotland EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Pham+LH%22">Pham LH</searchLink>; Imperial College London, London W12 0BZ, U.K.<br /><searchLink fieldCode="AU" term="%22Pinto+L%22">Pinto L</searchLink>; Independent Researcher, 5 Parv. Alan Turing, Paris 75013, France.<br /><searchLink fieldCode="AU" term="%22Purnomo+J%22">Purnomo J</searchLink>; University of California Berkeley, Berkeley, California 94720, United States.<br /><searchLink fieldCode="AU" term="%22Rich+A%22">Rich A</searchLink>; Inductive Bio, New York, New York 11238-5086, United States.<br /><searchLink fieldCode="AU" term="%22Schaaf+L%22">Schaaf L</searchLink>; University of Cambridge, Cambridge CB2 1PZ, U.K.<br /><searchLink fieldCode="AU" term="%22Schran+C%22">Schran C</searchLink>; University of Cambridge, Cambridge CB2 1PZ, U.K.<br /><searchLink fieldCode="AU" term="%22Singh+RK%22">Singh RK</searchLink>; Shiv Nadar University, Greater Noida, Uttar Pradesh 201314, India.<br /><searchLink fieldCode="AU" term="%22Srilakshmi+M%22">Srilakshmi M</searchLink>; SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India.<br /><searchLink fieldCode="AU" term="%22Srivastava+SP%22">Srivastava SP</searchLink>; Shiv Nadar University, Greater Noida, Uttar Pradesh 201314, India.<br /><searchLink fieldCode="AU" term="%22Sun+K%22">Sun K</searchLink>; University of California Berkeley, Berkeley, California 94720, United States.<br /><searchLink fieldCode="AU" term="%22Sun+Z%22">Sun Z</searchLink>; Shenzhen University of Advanced Technology, Shenzhen 518107, China.<br /><searchLink fieldCode="AU" term="%22Talagayev+V%22">Talagayev V</searchLink>; Freie Universität Berlin, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Thirukonda+Subramanian+Balakrishnan+B%22">Thirukonda Subramanian Balakrishnan B</searchLink>; Heidelberg University, Im Neuenheimer Feld 224, Heidelberg 69120, Germany.<br /><searchLink fieldCode="AU" term="%22Titus+I%22">Titus I</searchLink>; SASTRA Deemed University, Thanjavur, Tamil Nadu 613401, India.<br /><searchLink fieldCode="AU" term="%22Tkatchenko+A%22">Tkatchenko A</searchLink>; University of Luxembourg, Luxembourg City L-1511, Luxembourg.<br /><searchLink fieldCode="AU" term="%22Treyde+W%22">Treyde W</searchLink>; University of Oxford, Oxford OX1 3PS, U.K.<br /><searchLink fieldCode="AU" term="%22Tricarico+G%22">Tricarico G</searchLink>; Galapagos NV, Mechelen 2800, Belgium.<br /><searchLink fieldCode="AU" term="%22Tripp+A%22">Tripp A</searchLink>; Valence Laboratories, Montreal, Quebec H2S 3G9, Canada.<br /><searchLink fieldCode="AU" term="%22Vithayapalert+N%22">Vithayapalert N</searchLink>; VISTEC, Pa Yup Nai 21210, Thailand.<br /><searchLink fieldCode="AU" term="%22Wang+Y%22">Wang Y</searchLink>; University of California Berkeley, Berkeley, California 94720, United States.<br /><searchLink fieldCode="AU" term="%22Wasi+AT%22">Wasi AT</searchLink>; Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh.<br /><searchLink fieldCode="AU" term="%22Wedig+S%22">Wedig S</searchLink>; University of Cambridge, Cambridge CB2 1PZ, U.K.<br /><searchLink fieldCode="AU" term="%22Wolber+G%22">Wolber G</searchLink>; Freie Universität Berlin, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Xu+B%22">Xu B</searchLink>; Peking University, Beijing 100871, China.<br /><searchLink fieldCode="AU" term="%22Zhou+W%22">Zhou W</searchLink>; New York University, New York, New York 10012-1126, United States.<br /><searchLink fieldCode="AU" term="%22von+Delft+F%22">von Delft F</searchLink>; Diamond Light Source, Didcot OX11 0DE, U.K.<br /><searchLink fieldCode="AU" term="%22Lee+A%22">Lee A</searchLink>; PostEra, Cambridge, Massachusetts 02142, United States.<br /><searchLink fieldCode="AU" term="%22Kirkegaard+K%22">Kirkegaard K</searchLink>; Stanford University School of Medicine, Stanford, California 94305-5101, United States.<br /><searchLink fieldCode="AU" term="%22Sjö+P%22">Sjö P</searchLink>; Drugs for Neglected Diseases Initiative, Geneva 1202, Switzerland.<br /><searchLink fieldCode="AU" term="%22Fraser+JS%22">Fraser JS</searchLink>; University of California San Francisco, San Francisco, California 94115, United States.<br /><searchLink fieldCode="AU" term="%22Chodera+JD%22">Chodera JD</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2026 Mar 23; Vol. 66 (6), pp. 3129-3149. <i>Date of Electronic Publication: </i>2026 Feb 26. – 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="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE |
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