Qin-Yi Wang

MacroTox: A Macroscopic Graph Topology-Based Multimodal Learning Framework for Robust Molecular Toxicity Prediction

Despite breakthroughs in predicting acute organ toxicities, advanced computational models continue to struggle with complex, insidious end points like drug-induced bone toxicity. A fundamental limitation of most supervised pipelines is their failure to explicitly model intermolecular similarities during task-specific t...