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单苯环氯取代指数法预测二噁类化合物PCDDs的正辛醇/水分配系数
Authors
黄俊,余刚,张彭义,吴文忠
Publication date
1 January 2001
Publisher
Abstract
采用单苯环氯取代指数作为氯代二苯并二口恶口英类化合物 (PCDDs)的分子结构描述符 ,通过正向逐步线性回归方法建立了PCDDs的logKow与分子结构描述符之间的定量关系模型。与文献报道的MOD模型相比 ,该模型不仅具有显著的相关性 (n =43,Radj=0 898,SE =0 195 ,在α =0 0 5时 ,F =2 0 45 5 ,p =0 0 0 0 0 ) ,而且对于分子结构具有更好的区分能力。利用建立的模型 ,对没有logKow文献值的其他 33种PCDDs化合物给出了预测
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Institute of Hydrobiology, Chinese Academy Of Sciences
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Last time updated on 15/03/2018