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Journal of Chemical Information and Modeling|July 22, 2024
HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug DiscoveryAlvaro Prat, Hisham Abdel Aty, Orestis Bastas, et al.Journal of Cheminformatics|July 21, 2025
Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based modelsGintautas Kamuntavičius, Tanya Paquet, Orestis Bastas, et al.Journal of Cheminformatics|November 15, 2024
Accelerated hit identification with target evaluation, deep learning and automated labs: prospective validation in IRAK1Gintautas Kamuntavičius, Alvaro Prat, Tanya Paquet, et al.Pageof 1