Publications by authors named "Alvaro Prat"

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Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based models.
Gintautas Kamuntavičius, Tanya Paquet, Orestis Bastas, Dainius Šalkauskas, Alvaro Prat

J Cheminform· July 2025

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Accelerated hit identification with target evaluation, deep learning and automated labs: prospective validation in IRAK1.
Gintautas Kamuntavičius, Alvaro Prat, Tanya Paquet, Orestis Bastas, Hisham Abdel Aty

J Cheminform· November 2024

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HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery.
Alvaro Prat, Hisham Abdel Aty, Orestis Bastas, Gintautas Kamuntavičius, Tanya Paquet

J Chem Inf Model· August 2024

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