取代芳烃对某些生物急性毒性的拓扑学研究 |
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引用本文: | 冯长君,秦正龙,唐自强.取代芳烃对某些生物急性毒性的拓扑学研究[J].化学研究,2003,14(2):65-69. |
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作者姓名: | 冯长君 秦正龙 唐自强 |
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作者单位: | 1. 徐州师范大学化学系,江苏,徐州,221116 2. 徐州教育学院化学系,江苏,徐州,221006 |
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基金项目: | 江苏省高校自然科学基金资助项目(02KJB150008). |
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摘 要: | 提出了成键原子的生物活性值(ai),并建立其连接性指数(mA).其中的0A、1A与取代芳烃对斜生栅列藻、日本长腿蛙蝌蚪、绿藻等三种生物的急性毒性关连,相关系数(R)依次为0.9516、0.9564、0.9335,优于相应文献的研究成果.证明mA与取代芳烃生物活性的相关性优于著名的Kier指数(mXv).
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关 键 词: | 生物活性 连接性指数 取代芳烃 斜生栅列藻 日本长腿蛙蝌蚪 绿藻 急性毒性 定量结构-活性相关 |
文章编号: | 1008-1011(2003)02-0065-05 |
修稿时间: | 2002年11月25 |
The Connectivity Topological Research on the Acute Toxicologies of Substituted Aromatic Compounds to Some Organisms |
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Abstract: | A novel connectivity index (mA) based on the ai, which is a characteristic value of bioactivity for bonding atom i, is proposed . 0A and 1A among mA are defined as 0A=Σai, 1A=Σ1Ak=Σ(ai·aj) respectively. The correlation coefficients (R) of 0A, 1A and the acute toxicologies of substituted aromatic compounds to three kinds of organisms (scendedesmus obliquus, rana Japonica tadpoles and green algae) are 0.9516, 0.9564, 0.9335. Their correlativities are even more ideal than those in the literature, indicating that the correlativity between mA and bioactivity of substituted aromatic compound are better than that of the famous Kier's index (mXv). |
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Keywords: | bioactivity connectivity index substituted aromatic compound scendedesmus obliquus rana Japonica tadpoles green algae acute toxicology quantitative structure-activity relationship |
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