| 吖啶类新药的定量构效关系研究 |
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| 引用本文： | 庞先勇,韩灵翠,吴家玲. 吖啶类新药的定量构效关系研究[J]. 太原理工大学学报, 1994, 0(1) |
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| 作者姓名： | 庞先勇 韩灵翠 吴家玲 |
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| 作者单位： | 太原工业大学，中国科技大学 |
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| 摘 要： | 文中采用量子化学ＣＮＤＯ／２方法对４—酰胺基—９—胺基吖啶系列进行了计算，并由所得结果结合宏观亲疏水性参数与活性进行了定量构效关系（ＱＳＡＲ）研究。获得相关性很好的回归方程。从而进一步证实了这类化合物是电子转移接受体，接受电子的部位很可能是Ｎ（１０）
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| 关 键 词： | 吖啶；QSAR；CNDO／2 |
QSAR Study of A Series of New Acridine Medicince |
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| Pang Xian yong,Han Ling cui. QSAR Study of A Series of New Acridine Medicince[J]. Journal of Taiyuan University of Technology, 1994, 0(1) |
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| Authors: | Pang Xian yong Han Ling cui |
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| Affiliation: | Pang Xian yong;Han Ling cui(Taaiyan University of technology)Wu Jia ling (University fo Science and Technique fo China) |
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| Abstract: | In this paper,We did quantum chemistry calculation on a series of 9 ami-noacridine 4 carboxamides by meas of CNDO/2 method.We have aiso used the calculated results with the hydrohpobic parameters of these compounds to fomulate quantitative struc1ire ac-tivity relationships and the equations with the high correlation cofficients of the regressions areobtained.therefore,the fact that these compounds are chargetransfer acceptors is further con-formed.There is much possibility that the site of accepting electron is N(10). |
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| Keywords: | acridine QSAR CNDO/2 |
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