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QSAR modeling to describe n-octanol-water partition coefficients of perfluorinated/polyfluorinated alkyl compounds.

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第一作者： Peng,Liao

第一单位： School of Resources and Environment, Nanchang University, Key Laboratory of Poyang Lake Environment and Resource Utilization, Ministry of Education, Nanchang 330031, Jiangxi, China.

作者： Peng,Liao ^[1] ; Zhenzhong,Liu ^[2] ; Xianchuan,Xie ^[1] ; Zhanli,Chen ^[1] ; Hongliang,Ji ^[1] ; Xiaofang,Xiang ^[1] ; Lili,Liao ^[1] ; Weikang,Zheng ^[1] ; Zhengguo,Fu ^[1] ; Ronglong,Chen ^[1]

作者单位： School of Resources and Environment, Nanchang University, Key Laboratory of Poyang Lake Environment and Resource Utilization, Ministry of Education, Nanchang 330031, Jiangxi, China. ^[1] School of Resources and Environment, Nanchang University, Key Laboratory of Poyang Lake Environment and Resource Utilization, Ministry of Education, Nanchang 330031, Jiangxi, China. Electronic address: liuzz79@ncu.edu.cn. ^[2]

关键词 Octanol-water partition coefficient (logK(OW))Per/polyfluoroalkyl compounds (PFASs)Quantitative conformational relationships (QSAR)Stepwise multiple linear regression (MLR)

医学主题词量化构效关系(Quantitative Structure-Activity Relationship);水污染物, 化学性(Water Pollutants, Chemical);氟碳化合物(Fluorocarbons);1-辛醇(1-Octanol);水(Water);模型, 化学(Models, Chemical)

DOI 10.1016/j.marpolbul.2025.117594

PMID 39879850

发布时间 2025-05-04

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