| QSAR法研究芳烃类化合物的生物毒性 |
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| 引用本文： | 秦正龙.QSAR法研究芳烃类化合物的生物毒性[J].城市环境与城市生态,2004,17(3):7-9. |
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| 作者姓名： | 秦正龙 |
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| 作者单位： | 徐州师范大学化学系,徐州,221116 |
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| 基金项目： | 江苏省自然科学基金资助项目(02KJB150008) |
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| 摘 要： | 基于表征生物活性的原子点价Bi并构建芳烃类化合物的拓扑指数Ln,并用L0,L1及指示参数N与芳烃类化合物对发光菌、大型蚤、呆鲦鱼的急性毒性关联,得到了良好的相关性,相关系数依次为0.9489、0.9787、0.9648,所建QSAR模型具有良好的稳定性和预测能力,估算结果均明显优于文献方法。
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| 关 键 词： | 芳烃类化合物 生物毒性 发光菌 大型蚤 呆鲦鱼 定量结构-活性关系 |
Biological Toxicities of Aromatic Compounds by Using QSAR Method |
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| QIN Zheng-long.Biological Toxicities of Aromatic Compounds by Using QSAR Method[J].Urban Environment & Urban Ecology,2004,17(3):7-9. |
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| Authors: | QIN Zheng-long |
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| Abstract: | A novel topological index L~n for twenty four substituted aromatic compounds(with substituents OH,NH_2,NO_2,Cl,Br and alkyl)has been derived based on the B_i,a characteristic value of bioactivity for bonding atomi.L~0,L~1 and N have good correlation with acute toxicities of substituted aromatic compounds to Photobacterium phosphoreum,Daphnia magna Straus,Pimephales promelas.Their correlation coefficients are (0.9489),(0.9787),(0.9648) respectively.The estimated results with about QSAR are all better than the relevant achievements of literatures. |
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| Keywords: | aromatic compound biological toxicity Photobacterium phosphoreum Daphnia magna Straus Pimephales promelas QSAR |
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