| 分子拓扑指数与对卤代苯酚生物活性的预测 |
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| 引用本文： | 舒元梯. 分子拓扑指数与对卤代苯酚生物活性的预测[J]. 西南民族学院学报(自然科学版), 2006, 32(1): 78-83 |
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| 作者姓名： | 舒元梯 |
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| 作者单位： | 乐山师范学院化学与生命科学系 四川乐山614000 |
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| 基金项目： | 乐山师范学院资助科研项目(ZA0204) |
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| 摘 要： | 基于元素的Pau ling电负性、原子成σ键的电子数,原子直接键连的成σ键的氢原子数目和原子在形成离域π键时所提供的Pz电子数,定义了一种原子点价公式,构建了分子连接性指数.研究了卤代苯酚对结核菌抑制活性,抗菌活性,呆鲦鱼毒性,水生生物(Goldernorfe)毒性,诱发浮萍萎黄病活性,细胞色素P-450转化活性等六项生物活性分别同卤代苯酚分子连接性指数的相关性.结果表明:分子连接性指数具有良好的结构选择性和性质相关性,可用于预测其它卤代苯酚的生物活性.
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| 关 键 词： | 分子拓扑指数 生物活性 卤代苯酚 相关性 |
| 文章编号： | 1003-2843（2006）01-0078-06 |
| 收稿时间： | 2005-09-12 |
| 修稿时间： | 2005-09-12 |
The molecular topological index and predicting of creaturely activity of halogenated phenols |
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| SHU Yuan-ti. The molecular topological index and predicting of creaturely activity of halogenated phenols[J]. Journal of Southwest Nationalities College(Natural Science Edition), 2006, 32(1): 78-83 |
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| Authors: | SHU Yuan-ti |
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| Abstract: | On the elemental electronegative,bonding electron number and bonded hydrogen aitomic number,new molecular topological index is developed for research on creaturely activity of halogented phenols in this paper.And the linear relationship between creaturely activity of halogenated phenols and the molecular topological index is obtained.It is conclucled that the indexes have good structure selectivity and creaturely activity relativity.It can be extended to predict the creaturely activity of other halogenated phenols. |
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| Keywords: | molecular topological index creaturely activity halogenated pnenol correlativity |
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