Prediction of blood–brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networks

This is a publication. If there is no link to the publication on this page, you can try the pre-formated search via the search engines listed on this page.

Authors: Nikoletta-Maria Koutroumpa, Andreas Tsoumanis, Haralambos Sarimveis, Iseult Lynch, Georgia Melagraki, Antreas Afantitis

Journal title: Journal of Cheminformatics

Journal number: 17

Journal publisher: Chemistry Central

Published year: 2025

DOI identifier: 10.1186/s13321-025-01007-2

ISSN: 1758-2946