Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World

Srijit Seal(Broad Institute), Andreas Bender(Munich School of Philosophy), Arash Mehrjou, Christos A. Nicolaou(Digital Science (United States)), Adrien Badré(University of Oklahoma), Deidre A. Dalmas(BioClinica (United States)), Bjarki Jóhannesson(AstraZeneca (Sweden)), Lewis R. Vidler(Eli Lilly (United States)), Patrick Schwab, Mrinal Shekhar(Foundation for the National Institutes of Health), Miguel García-Ortegón(University of Cambridge), Chaitanya K. Joshi(University of Cambridge), Carolin Schramm(Sanofi (France)), Djork-Arné Clevert(Bayer (Germany)), Ola Spjuth(Uppsala University), Alex Beatson(Axiom (China)), Anne E. Carpenter(Broad Institute), Matthew Greenig(University of Cambridge), Caroline Weis(GlaxoSmithKline (India)), Brianna Paisley(Eli Lilly (United States)), Dominic P. Williams(AstraZeneca (Sweden)), Falgun Shah(Drug Safety Research Unit), Shantanu Singh(Broad Institute), Kamel Mansouri, Arijit Patra(UCB Pharma (United States)), Raymond J. Gonzalez(Drug Safety Research Unit), W. Patrick Walters(Relay Therapeutics (United States)), Nicola J. Richmond(Recursion (United States)), Layla Hosseini-Gerami, Manas Mahale(Bombay College of Pharmacy), Russell Naven(Novartis (China)), David Rouquié(Bayer (France)), Rhiannon Lowe
Chemical Research in Toxicology
May 2, 2025
Cited by 99


Related Papers