HierDTA: Hierarchical Structure-Aware Representation Learning for Drug--Target Affinity Prediction

arXiv:2610.27001v1 Announce Type: cross Abstract: Drug--target affinity (DTA) prediction plays an important role in computer-aided drug discovery, where reliable computational models can help prioritize compound--protein pairs before experimental validation. A key challenge in DTA prediction is to effectively mine multi-level molecular information from drug structures while accurately modeling the binding-site environment of target proteins. To address these issues, we introduce HierDTA, a hierarchical structure-aware framework for DTA prediction. \textcolor{black}{HierDTA represents each drug

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