Evaluating the Vascular Risk of PFCs: An Integrated XGBoost-Driven Structure–Activity Prediction and Experimental Validation Study

Perfluorochemicals (PFCs) are emergent and persistent organic pollutants with widespread application. Their structural similarity and detection in serum raises substantial concerns regarding their toxicological effects. While the endocrine-disrupting effects of PFCs are well-recognized, the structur...

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Bibliographic Details
Main Author:	Gan Miao (15997685) (author)
Other Authors:	Chengying Zhou (7381583) (author), Liting Xu (8111903) (author), Li Zhao (147498) (author), Jingxu Zhang (4673482) (author), Ze Zhang (47230) (author), Zhe Kou (21215020) (author), Rifat Zubair Ahmed (21215023) (author), Dawei Lu (1543276) (author), Xiaoting Jin (658188) (author), Yuxin Zheng (621613) (author)
Published:	2025
Subjects:	Biochemistry Medicine Biological Sciences not elsewhere classified structure – activity persistent organic pollutants extreme gradient boosting entire chinese population algorithm suggested short endothelial cell receptors endothelial cell function managing toxic pfcs also integrated computational endothelial cells vascular function also offers widespread application vivo </ vitro </ vascular risk toxicological effects structural similarity strategic framework safer alternatives risk varying particularly detrimental machine learning key determinant investigated yet integrated xgboost industrialization level indicated differences high risk global shift fluoride industry finding substantiated exposure data experimental approaches disrupting effects detailed understanding critical gap chain pfcs cardiovascular health binding affinities adverse effect
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Evaluating the Vascular Risk of PFCs: An Integrated XGBoost-Driven Structure–Activity Prediction and Experimental Validation Study

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