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Toxicity-guided assessment of disinfection by-products via machine learning and network toxicology
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DOI：10.1016/j.watres.2026.126658.png)
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Abstract
En 中文
• An interpretable ML framework enabled mechanism-informed DBP prioritization. • Over 271 DBPs were screened across toxicity and exposure endpoints. • Halobenzoquinones ranked among the highest-priority emerging DBPs. • Experimental validation confirmed apoptosis-associated HBQ toxicity. • Electrophilicity and polarizability drive ROS-mediated HBQ toxicity.
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