| 引用本文： |
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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,(1):1-2,6. [点击复制]
- Qin Zhenglong.Quantitative Structure-Activity Relationship of Substituted Aromatics with Autocorrelation Topological Index[J].Journal of Guangxi Academy of Sciences,2004,(1):1-2,6. [点击复制]
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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。 |
| 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 |
| DOI： |
| 投稿时间：2003-04-21修订日期：2003-09-11 |
| 基金项目:江苏省高校自然科学研究项目(02KJB150008) |
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| Quantitative Structure-Activity Relationship of Substituted Aromatics with Autocorrelation Topological Index |
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Qin Zhenglong
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| (Department of Chemistry, Xuzhou Normal University, Xuzhou, Jiangsu, 221116, China) |
| Abstract: |
| A novel autocorrelation topological index tF based on the Ai 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. |
| Key words: autocorrelation topological index substituted aromatic QSAR Scenedsmus obliquus Photobacterium phosphoreum |
