Category:
Biological and Medicinal Chemistry
,
Working Paper
, Title:
Practically significant method comparison protocols for machine learning in small molecule drug discovery.
, Authors:
Jeremy R. Ash, Cas Wognum, Raquel Rodríguez-Pérez, Matteo Aldeghi, Alan C. Cheng, Djork-Arné Clevert, Ola Engkvist, Cheng Fang, Daniel J. Price, Jacqueline M. Hughes-Oliver, W. Patrick Walters
Version 2 posted 07 November 2024
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