Prediction of Bioconcentration Factor of NonPolar OrganicCompounds by Molecular Connectivity Indices
根据分子连接性指数估算非极性有机化合物在鱼体中的生物富集因子

Relationship between Bioconcentration Factor (BCF) and Molecular Connectivity Indices (MCI) was investigated based on molecular topology.By stepwise regression analysis, a prediction model was developed on the basis of the observed BCF values of 80 nonpolar organic compounds.Jackknife tests were applied to examine the robustness of the prediction model.The results indicated that compounds with relatively simple or complex structure had more influence on the model.The average errors of the 80 calculated BCF by MCI and KOW were 0288 and 0302, respectively.