Predicting and Elucidating Peptide Retention Mechanisms with Graph Attention Networks
Alexander Kensert, Kateřina Hrůzová, Robbe Devreese, Alireza Nameni, Arthur Declercq, Ralf Gabriels, Lennart Martens, Robbin Bouwmeester, Jiřı́ Urban
The paper introduces a deep learning model to predict peptide retention times in liquid chromatography and identifies key factors influencing retention through saliency mapping.
bioRxiv · May 20, 2026 · PreprintBioinformatics