| 自相关拓扑指数与取代芳烃生物活性的定量关系 |
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| 引用本文： | 秦正龙.自相关拓扑指数与取代芳烃生物活性的定量关系[J].广西科学院学报,2004,20(1):1-2,6. |
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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,江苏,徐州,221116 |
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| 基金项目： | 江苏省高校自然科学研究项目 ( 0 2 KJB15 0 0 0 8) |
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| 摘 要： | 根据成键原子的结构特征，定义其生物活性的点价为Ai,由Ai建构自相关拓扑指数^tF，用其0阶指数。^0F、1阶指数^1F研究取代芳烃对斜生栅列藻(Scenedsmus obliquus)、发光菌(Photobacterium phosphoreum)的急性毒性，并给出相关方程，其二元相关系数分别为0．948和0．933，均优于相应的文献方法。
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| 关 键 词： | 自相关拓扑指数 取代芳烃 定量结构-活性相 关斜生栅列藻 发光菌 |
| 收稿时间： | 2003/4/21 0:00:00 |
| 修稿时间： | 2003/9/11 0:00:00 |
Quantitative Structure-Activity Relationship of Substituted Aromatics with Autocorrelation Topological Index |
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| Qin Zhenglong.Quantitative Structure-Activity Relationship of Substituted Aromatics with Autocorrelation Topological Index[J].Journal of Guangxi Academy of Sciences,2004,20(1):1-2,6. |
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| Authors: | Qin Zhenglong |
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| Institution: | Department of Chemistry, Xuzhou Normal University, Xuzhou, Jiangsu, 221116, China |
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| Abstract: | A novel autocorrelation topological index tF based on the A i which is a characteristic value of bioactivity for atom iis produced.The zero topological index 0F and the first topological index 1F among tF are highly correlated with the acute toxicity of substituted aromatic compounds to Scenedsmus obliquus,Photobacterium phosphoreum.Their correlation coefficients are 0.948,0.933 respectively.Their correlativities are even better than those reported in the corresponding literatures. |
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| Keywords: | autocorrelation topological index substituted aromatic QSAR Scenedsmus obliquus Photobacterium phosphoreum |
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