Molecular Connectivity Index Method for Predicting BCF of PCBs in Fish
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

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.