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Explainable machine learning models enhance prediction of PFAS bioactivity using quantitative molecular surface analysis-derived representation Article

Yin, Zhipeng, Zhang, Min, Liu, Runzeng et al. (2025). Explainable machine learning models enhance prediction of PFAS bioactivity using quantitative molecular surface analysis-derived representation . WATER RESEARCH, 280 10.1016/j.watres.2025.123500

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