Development of Deep-Learning Models that Predict Quantitative Protein-Ligand Interac-tions in Glycobiology as a part of a Capstone Course
As part of a University of Alberta capstone course, this paper introduces three deep-learning models (ProMax, APEX, and UltraMax) trained on a hybrid dataset of approximately one million protein-ligand pairs to predict quantitative glycan-protein binding strengths, while highlighting the challenges posed by long-tail data distributions and insufficient chiral feature utilization.