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估算多氯联苯在鱼体内生物富集因子的分子连接性指数模型
引用本文:胡海瑛,陶澍,卢晓霞,习晓环.估算多氯联苯在鱼体内生物富集因子的分子连接性指数模型[J].环境科学,2000,21(4):16-20.
作者姓名:胡海瑛  陶澍  卢晓霞  习晓环
作者单位:北京大学城市与环境学系,北京,100871
基金项目:国家自然科学基金重点项目(Project Supported by the National Natural Science Foundation of China):49632060和国家杰出青年基金资助项目(49525102)
摘    要:根据 40个 PCB在鱼体内生物富集因子 ( BCF)的实测数据建立了分子连接性指数估算模型 .模型可决系数 0 .91 1 ,平均误差 0 .1 95个对数单位 .通过比较发现 ,对于单一类别化合物分子连接性指数模型比片段常数模型更精确 ,对分子整体结构特征的描述效率更高 ,但片段常数模型具有物理意义明确、变量选择及模型调整灵活的优点 .

关 键 词:生物富集因子  多氯联苯  分子连接性指数  片段常数
文章编号:0250-3301(2000)04-0016-05
收稿时间:1999/10/29 0:00:00
修稿时间:1999年10月29

Molecular Connectivity Index Method for Predicting BCF of PCBs in Fish
Hu Haiying,Tao Shu,Lu Xiaoxia and Xi Xiaohuan.Molecular Connectivity Index Method for Predicting BCF of PCBs in Fish[J].Chinese Journal of Environmental Science,2000,21(4):16-20.
Authors:Hu Haiying  Tao Shu  Lu Xiaoxia and Xi Xiaohuan
Abstract:A molecular connectivity index model was developed for predicting BCF of PCBs in fish based on experimental BCF values of 40 PCBs.The model determine coefficient is 0911,and average error is 0195.A comparison between the model developed and a fragment constant model obtained in our previous study showed that,molecular connectivity index model is superior to fragment constant model as far as the model accuracy and the power to describe molecular structure were concerned when only PCB is studied.On the other hand,the fragment constant method is of advantage in offering physical explanation and in the complexity of variable selection and improvement.
Keywords:BCF  PCBs  molecular connectivity index  fragment constant
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