Evaluation guidelines for machine learning tools in the chemical sciences

Andreas Bender(University of Cambridge), Nadine Schneider(Novartis (Switzerland)), Marwin Segler(Microsoft Research (United Kingdom)), W. Patrick Walters(Relay Therapeutics (United States)), Ola Engkvist(AstraZeneca (Sweden)), Tiago Rodrigues(University of Lisbon)
Nature Reviews Chemistry
May 24, 2022
Cited by 147

Abstract


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