5 papers
HiF-DTA: Hierarchical Feature Learning Network for Drug-Target Affinity Prediction
Minghui Li, Yuanhang Wang, Peijin Guo +3
Accurate prediction of Drug-Target Affinity (DTA) is crucial for reducing experimental costs and accelerating early screening in computational drug discovery. While sequence-based…
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…
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…
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…
Revisiting Gradient Pruning: A Dual Realization for Defending against Gradient Attacks
Lulu Xue, Shengshan Hu, Ruizhi Zhao +4
Collaborative learning (CL) is a distributed learning framework that aims to protect user privacy by allowing users to jointly train a model by sharing their gradient updates only.…