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Cross-Radical Knowledge Sharing via Graph Neural Networks for Unified Prediction of Aqueous Organic Contaminant Second-Order Radical Reaction Rate Constants

Abstract Selecting among hydroxyl (HO•), sulfate (SO4•–), and carbonate (CO3•–) radical advanced oxidation processes requires reliable intrinsic second-order rate constants, yet the corresponding curated data sets contain 1250, 493, and 248 records, respectively. Reframing this imbalance as a cross-radical few-shot lea...

Zhi Zhen Huang, Jiang Yu, Pengxinyue Huang et al. · 0 citations

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