9 citations · 9 across the 1 of their papers we have counts for
2 papers
cs.LG2024★ 1 cited
Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores
Álvaro Ciudad, Adrián Morales-Pastor, Laura Malo +3
In this study, we present ScoreFormer, a novel graph transformer model designed to accurately predict molecular docking scores, thereby optimizing high-throughput virtual screening…
q-bio.BM2023★ 9 cited
Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks
Isaac Filella-Merce, Alexis Molina, Marek Orzechowski +7
Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their abil…