"Practically Significant Method Comparison Protocols for Machine Learning ..."

Jeremy R. Ash et al. (2025)

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DOI: 10.1021/ACS.JCIM.5C01609

access: closed

type: Journal Article

metadata version: 2025-10-17

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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:
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery. J. Chem. Inf. Model. 65(18): 9398-9411 (2025)

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