%0 Journal Article %T 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 %A Lu Xiaoxi %A Tao Shu %A Hu Haiying %A Ye Shengfa %A
卢晓霞 %A 陶澍 %A 胡海英 %A 叶生发 %J 环境科学 %D 1999 %I %X 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. %K molecular connectivity indices %K bioconcentration factor %K nonpolar organic compounds %K robustness
分子连接性指数 %K 生物富集因子 %K 有机化合物 %K 鱼 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=3FF3ABA7486768130C3FF830376F43B398E0C97F0FF2DD53&cid=A7CA601309F5FED03C078BCE383971DC&jid=64CD0AA99DD39F69401C615B85F123EF&aid=000C0E2BAD5928CFD2F7C147B71F1B8E&yid=B914830F5B1D1078&vid=A04140E723CB732E&iid=38B194292C032A66&sid=9CF7A0430CBB2DFD&eid=59906B3B2830C2C5&journal_id=0250-3301&journal_name=环境科学&referenced_num=5&reference_num=0