"Prediction of blood-brain barrier and Caco-2 permeability through the ..."

Nikoletta-Maria Koutroumpa et al. (2025)

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DOI: 10.1186/S13321-025-01007-2

access: open

type: Journal Article

metadata version: 2025-07-04

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Nikoletta-Maria Koutroumpa, Andreas Tsoumanis, Haralambos Sarimveis, Iseult Lynch, Georgia Melagraki, Antreas Afantitis:
Prediction of blood-brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networks. J. Cheminformatics 17(1): 68 (2025)

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