| 25种持久性有机污染物飞灰-水分配系数的定量结构性质关系研究 |
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| 引用本文： | 焦龙,张群正.25种持久性有机污染物飞灰-水分配系数的定量结构性质关系研究[J].西安石油大学学报(自然科学版),2011,26(5):69-73,117. |
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| 作者姓名： | 焦龙 张群正 |
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| 作者单位： | 西安石油大学化学化工学院,陕西 西安,710065 |
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| 基金项目： | 陕西省自然科学基金项目(编号:2010JQ2003); 陕西省教育厅专项科研计划项目(编号:2010JK780); 陕西省“13115”科技创新工程重大科技专项(编号:2010ZDKG-46) |
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| 摘 要： | 分别采用多元线性回归(MLR)和径向基函数人工神经网络(RBF - ANN)建立了2个不同的持久性有机污染物飞灰-水分配系数(Ksc)的定量结构性质关系(QSPR)模型,并应用留一交叉验证方法对所建立的模型进行了检验.用所建立的模型研究了25种有机污染物的飞灰-水分配系数的定量结构性质关系.结果表明:MLR模型预测的l...
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| 关 键 词： | 定量结构性质关系 飞灰-水分配系数 持久性有机污染物 径向基函数人工神经网络 多元线性回归 |
Study on the quantitative prediction of the soot-water partition coefficient of 25 persistent organic pollutants |
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| JIAO Long,ZHANG Qun-zheng.Study on the quantitative prediction of the soot-water partition coefficient of 25 persistent organic pollutants[J].Journal of Xian Shiyou University,2011,26(5):69-73,117. |
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| Authors: | JIAO Long ZHANG Qun-zheng |
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| Institution: | JIAO Long,ZHANG Qun-zheng(College of Chemistry and Chemical Engineering,Xi'an Shiyou University,Xi'an 710065,Shaanxi,China) |
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| Abstract: | Two quantitative structure property relationship(QSPR) models for predicting the soot-water partition coefficient(Ksc) of persistent organic pollutant(POP) were established using multivariate linear regression(MLR) and radial basis function artificial neural network(RBF-ANN) respectively.The obtained models were assessed with leave one out cross validation.The soot-water partition coefficients(Ksc) of 25 persistent organic pollutants were predicted using two models.The relative square-error and the correlat... |
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| Keywords: | persistent organic pollutant QSPR soot-water partition coefficient radial basis function artificial neural network multivariate linear regression |
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