Protein–ligand data at scale to support machine learning

A.M. Edwards(University of Toronto), Benjamin Haibe‐Kains(University of Toronto), Anthony D. Keefe(Nagase ChemteX (Japan)), Lucas R. de Souza(Universidade Estadual de Campinas (UNICAMP)), Sandra Häberle(Goethe University Frankfurt), Lovisa Holmberg Schiavone(AstraZeneca (Japan)), M. Sundström(Karolinska University Hospital), Shaun R. Stauffer(Cleveland Clinic Lerner College of Medicine), Levon Halabelian(University of Toronto), Emma L. Rivers(AstraZeneca (United Kingdom)), Maxwell R. Morgan(University of Toronto), Andrew R. Leach(LifeArc), Florian Montel(Boehringer Ingelheim (Germany)), Claudia Tredup(Goethe University Frankfurt), Hui Peng(Sun Yat-sen University), Dafydd R. Owen(Pfizer (United States)), Aimo Kannt(Goethe University Frankfurt), Dušan Petrović(Nuvisan (Germany)), Rachel Harding(University of Toronto), Florian Krieger(Evotec (Germany)), Sven Thamm(Boehringer Ingelheim (Germany)), Uta Lessel(Boehringer Ingelheim (Germany)), Susanne Müller(Goethe University Frankfurt), James Wellnitz(University of North Carolina at Chapel Hill), Maurice Michel(Goethe University Frankfurt), Damian W. Young(Baylor University), Emily Holzinger(Bristol-Myers Squibb (United States)), Leili Zhang(IBM (United States)), Thomas Hanke(Goethe University Frankfurt), Matthieu Schapira(University of Toronto), Matthew H. Todd(Structural Genomics Consortium), Sofia Melliou(Structural Genomics Consortium), Alexander Tropsha(University of North Carolina at Chapel Hill), Erik Vernet, Min Shen(Kaili University), Timothy M. Willson(University of North Carolina at Chapel Hill), Kristof T. Schütt(Pfizer (Germany)), Kumar Singh Saikatendu(Takeda (United States)), Yanli Wang(Zhejiang Sci-Tech University), John P. O’Donnell(Entasis Therapeutics (United States)), Scott A. Johnson(Bristol-Myers Squibb (United States)), Andreas Steffen(Pfizer (Germany)), Oliver Krämer(Carl von Ossietzky Universität Oldenburg), Anke Mueller‐Fahrnow(Bayer (Germany)), Jarrod Walsh(AstraZeneca (United Kingdom)), S. Knapp(Goethe University Frankfurt), Amelia Tjaden(Goethe University Frankfurt), Ingo V. Hartung(Merck KGaA, Darmstadt (Germany)), Santha Santhakumar(Structural Genomics Consortium), Juan Carlos Mobarec(AstraZeneca (Germany))
Nature Reviews Chemistry
July 23, 2025
Cited by 15


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