4 papers
Reinforcement Learning with LLM-Guided Action Spaces for Synthesizable Lead Optimization
Tao Li, Kaiyuan Hou, Tuan Vinh +3
Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approach…
Knowledge Graph Augmented Large Language Models for Disease Prediction
Ruiyu Wang, Tuan Vinh, Ran Xu +5
Electronic health records (EHRs) enable strong clinical prediction, but explanations are often coarse and hard to use for patient-level decisions. We propose a knowledge graph (KG)…
Peeling Context from Cause for Molecular Property Prediction
Tao Li, Kaiyuan Hou, Tuan Vinh +2
Deep models are used for molecular property prediction, yet they are often difficult to interpret and may rely on spurious context rather than causal structure, which reduces relia…
Imaging-anchored Multiomics in Cardiovascular Disease: Integrating Cardiac Imaging, Bulk, Single-cell, and Spatial Transcriptomics
Minh H. N. Le, Tuan Vinh, Thanh-Huy Nguyen +7
Cardiovascular disease arises from interactions between inherited risk, molecular programmes, and tissue-scale remodelling that are observed clinically through imaging. Health syst…