"Benchmarking ML in ADMET predictions: the practical impact of feature ..."

Gintautas Kamuntavicius et al. (2025)

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DOI: 10.1186/S13321-025-01041-0

access: open

type: Journal Article

metadata version: 2025-07-30

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Gintautas Kamuntavicius, Tanya Paquet, Orestis Bastas, Dainius Salkauskas, Alvaro Prat, Hisham Abdel-Aty, Aurimas Pabrinkis, Povilas Norvaisas, Roy Tal:
Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based models. J. Cheminformatics 17(1): 108 (2025)

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