用片段常数法估算有机化合物在鱼体内的生物富集因子.pdf

第 21 卷第 3 期 环 　境 　科 　学 　学 　报 Vol . 21 ,No . 3 2001 年 5 月 ACTA SCIENTIAE CIRCUMSTANTIAE May ,2001 ( ) 文章编号 2001　　　中图分类号 :X174 　　　文献标识码 :A 用片段常数法估算有机化合物在鱼体内的生物 富集因子 + (北京大学城市与环境学系 ,北京 　100871) 胡海瑛 ,陶　澍 ,卢晓霞 　　 摘要 :根据337 个有机化合物在鱼体内生物富集因子的实测数据建立了片段常数法估算模型 涉及的有机物包括卤代苯 、卤 代联苯 、氯代脂肪烃 、多环芳烃 、醇 、醚 、醛 、酮 、腈 、苯酚 、苯胺 、硝基苯 、呋喃、二　　 、含氮氧硫的杂环混合和物 、脲和有机磷 农药等多种类别 ,log Kow在 039～860 之间 模型可决系数 0982 ,标准差 0453 ,平均绝对误差 0322 个对数单位 60 种检验 化合物的平均预测残差为 0320 个对数单位 关键词 :有机化合物 ;生物富集因子 ;片段常数 Predicting of BCFs in f ish for organic chemicals using fragment constant method + ( ) HU Haiying ,TAO Shu ,LU Xiaoxia 　Department of Urban and Environmental Sciences ,Peking University ,Beijing 100871 Abstract :Based on 337 experimentally determined BCF values in fish for nonpolar and polar chemicals ,a fragment constant estimation model for log BCF was established. In the first step of regression process ,the whole body of the database was divided into two parts ,one containg 277 chemicals was used for model development and the other of 60 chemicals for model validation . As a result ,an average error of 0 . 320 log unit was produced when prediction of log BCF was made to the test set chemicals by applying the regression model derived from the train set data . The two sets of data then were combined to generate the final prediction model ,whose determination coefficient was 0 . 982 ,with a standard error of 0 . 453 and a mean absolute residual of 0 . 322 log unit . Keywords :organic chemical ,BCF ,fragment constant