| 新的价连接性指数mX用于有机化合物的QSAR |
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| 引用本文： | 堵锡华,冯长君.新的价连接性指数mX用于有机化合物的QSAR[J].南京工业大学学报(自然科学版),2001,23(2):28-31. |
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| 作者姓名： | 堵锡华 冯长君 |
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| 作者单位： | 徐州教育学院化学系, |
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| 摘 要： | 定义新的价连接性指数mX、mX′，并用于有机化合物的定量结构-活性相关性研究中，发现mX、mX′与有机物的毒性具有良好的线性关系，相关系数均在0.92以上，优于文献方法。该法具有计算简单，物理意义明确等优点。
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| 关 键 词： | 原子结构参数 价连接性指数 取代芳烃 定量结构-活性相关性 |
| 文章编号： | 1007—7537(2000)04—0028—04 |
| 修稿时间： | 2000年8月25日 |
NOVEL CONNECTIVITY INDEX FOR QSAR STUDY OF ORGANIC COMPOUNDS |
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| Du Xihua,Feng Changjun.NOVEL CONNECTIVITY INDEX FOR QSAR STUDY OF ORGANIC COMPOUNDS[J].Journal of Nanjing University of Technology,2001,23(2):28-31. |
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| Authors: | Du Xihua Feng Changjun |
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| Abstract: | The molecular connectivity indexes (mX, mX′) were used for studying the quantitaive structure-activity relationship of some organic compounds. It is found that mX and mX′ are highly correlated with toxicity, hydrophobicity of the organic compounds such as halogeno-benzene and nitrobenzene. The results show that all the ocrrelation coefficients are larger than 0.92. It has been demonstrated that the method possesses the advantage. It has been demonstrate that the method is easy to compute, clear in physical meaning and convenient in applications. |
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| Keywords: | atomic structural parameter connectivity index substituted arene quantitative structure-activity relationshp |
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