Huixiao Hong

Causality-integrated graph learning for multi-endpoint toxicity prediction

Toxicity prediction remains a longstanding challenge in the safety assessment of numerous artificial chemicals. While conventional single-endpoint models are effective for predicting many molecular properties, they fail to capture the complex mechanisms underlying toxicity, which...

Integrating Tox21 Assay Data and Chemical Fingerprints for Neurotoxicity Prediction

Abstract Exposure to environmental and pharmaceutical chemicals presents a significant risk for neurotoxicity. To reduce reliance on in vivo testing, the U.S. Toxicology in the 21st Century (Tox21) consortium has generated quantitative high-throughput screening data for approxima...