| 取代芳烃化合物对水生生物毒性的四种QSAR模型的比较研究 |
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| 引用本文： | 于瑞莲 徐建玲. 取代芳烃化合物对水生生物毒性的四种QSAR模型的比较研究[J]. 东北师大学报(自然科学版), 1999, 0(3): 73-78 |
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| 作者姓名： | 于瑞莲 徐建玲 |
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| 作者单位： | [1]泉州华侨大学环境保护设计研究所 [2]东北师范大学环境科学系 |
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| 摘 要： | 分别正辛醇／水分配系数法、线性溶剂化能相关方法、分子连接性法和分子基团贡献法建立了４３个芳香族化合物对发光菌和大型蚤的定量结构－活性相关方程，通过对四种方法的比较研究，用线性溶剂化能相关方法得到的ＱＳＡＲ方程拟合效果较好，且适用的化合物范围较广。
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| 关 键 词： | 取代芳烃 发光菌 大型蚤 QSAR模型 水生生物 |
The comparative study of four QSAR models of aromatic compounds to aquatic organisms |
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| YU Rui lian ,XU Jian ling ,ZHAO Yuan hui ,WANG Chun mei. The comparative study of four QSAR models of aromatic compounds to aquatic organisms[J]. Journal of Northeast Normal University (Natural Science Edition), 1999, 0(3): 73-78 |
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| Authors: | YU Rui lian XU Jian ling ZHAO Yuan hui WANG Chun mei |
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| Affiliation: | YU Rui lian 1,XU Jian ling 2,ZHAO Yuan hui 2,WANG Chun mei 3 |
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| Abstract: | Quantitative structure-activity relationships (QSAR) were developed for 43 aromatic compounds toxicity to Photobacterium phosphoreum and Daphnia magna based on four methods: octanol/water partition coefficient, liner solution energy relationship, molecular connectivity index and group contribution. Through the evaluation of four QSAR methods, LSER was proved to be the best. And it applied to the widest range of chemicals with the greatest accuracy. |
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| Keywords: | aromatic compounds Photobacterium phosphoreum Daphnia magna QSAR models |
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