HierDTA: Hierarchical Structure-Aware Representation Learning for Drug–Target Affinity Prediction
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 multilevel molecular information from drug structures...
Huang-Chao Xu, Bao-Hua Zhang, Qian Liu et al.
· ACS Omega · 0 citations