| 一种新的拓扑指数及其在有机化合物结构/性质相关性研究中的应用 |
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| 引用本文： | 姚瑜元,许禄,杨翌秋,袁秀顺.一种新的拓扑指数及其在有机化合物结构/性质相关性研究中的应用[J].环境科学学报,1994,14(1):1-10. |
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| 作者姓名： | 姚瑜元 许禄 杨翌秋 袁秀顺 |
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| 作者单位： | 中国科学院长春应用化学研究所 |
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| 摘 要： | 以距离矩阵为基础，提出一种表征化合物分子结构的拓扑指数，并将其用于预报饱和链烃类、醇类和含氮芳香类化合物的性质和活性，获得了满意的结果。
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| 关 键 词： | 拓扑指数 有机化合物 QSAR QSPR |
| 收稿时间： | 1992/4/14 0:00:00 |
A NEW KIND OF TOPOLOGICAL INDEX AND ITS APPLICATIONS 0N STRUCTURE-PROPERTY RELA-TIONSHIPS OF ORGANIC COMPOUNDS |
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| Yao Yuyuan,Xu Lu,Yang Yiqiu and Yuan Xiushun.A NEW KIND OF TOPOLOGICAL INDEX AND ITS APPLICATIONS 0N STRUCTURE-PROPERTY RELA-TIONSHIPS OF ORGANIC COMPOUNDS[J].Acta Scientiae Circumstantiae,1994,14(1):1-10. |
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| Authors: | Yao Yuyuan Xu Lu Yang Yiqiu and Yuan Xiushun |
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| Institution: | Changchun Institute of Applied Chetmistry, Chinece Academy of Sciences, 130022,Changchun Institute of Applied Chetmistry, Chinece Academy of Sciences, 130022,Changchun Institute of Applied Chetmistry, Chinece Academy of Sciences, 130022 and Changchun Institute of Applied Chetmistry, Chinece Academy of Sciences, 130022 |
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| Abstract: | Based on distance matrix,a new kind of topological index have been de-veloped.Good results have been obtained when using them to predict thephysical and chemical properties of alkanes and alcohols,as well as activitiesof nitrogen-containing aromatic molecules. |
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| Keywords: | topological index organic compounds structure-property relationship |
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