3 papers
cs.LG2025
Uncertainty-Aware Metabolic Stability Prediction with Dual-View Contrastive Learning
Peijin Guo, Minghui Li, Hewen Pan +6
Accurate prediction of molecular metabolic stability (MS) is critical for drug research and development but remains challenging due to the complex interplay of molecular interactio…
cs.LG2025
Multi-Modality Representation Learning for Antibody-Antigen Interactions Prediction
Peijin Guo, Minghui Li, Hewen Pan +6
While deep learning models play a crucial role in predicting antibody-antigen interactions (AAI), the scarcity of publicly available sequence-structure pairings constrains their ge…
cs.LG2024
ViDTA: Enhanced Drug-Target Affinity Prediction via Virtual Graph Nodes and Attention-based Feature Fusion
Minghui Li, Zikang Guo, Yang Wu +5
Drug-target interaction is fundamental in understanding how drugs affect biological systems, and accurately predicting drug-target affinity (DTA) is vital for drug discovery. Recen…