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 .
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.
出处
《环境科学》
EI
CAS
CSCD
北大核心
2000年第4期16-20,共5页
Environmental Science
基金
国家自然科学基金!重点项目:49632 0 60
国家杰出青年基金!资助项目(4952 51 0 2 )
