| 取代苯甲醇和氯代苯的定量结构—活性关系研究 |
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| 引用本文： | 秦正龙. 取代苯甲醇和氯代苯的定量结构—活性关系研究[J]. 徐州师范大学学报(自然科学版), 2002, 20(2): 45-47 |
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| 作者姓名： | 秦正龙 |
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| 作者单位： | 徐州师范大学,化学系,江苏,徐州,221116 |
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| 摘 要： | 定义表征原子生物活性的特征值Ai,由Ai建构新的价连接性指数 nH=∑(Ai*Aj*Ak…),其中0阶指数 0H=∑(Ai),1阶指数 1H=∑(Ai*Aj).0H、1H与取代苯甲醇对黑曲霉素的生物活性及氯代苯对鲤鱼、呆鲦鱼和发光菌的急性毒性均具有高度的相关性.本文所需参数易得,计算方法简单,预测结果满意.
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| 关 键 词： | 定量结构－活性关系 取代苯甲醇 氯代苯 价连接性指数 生物活性 特征值 |
| 文章编号： | 1007-6573(2002)02-0045-03 |
| 修稿时间： | 2001-10-10 |
Quantitative Structure-Activity Relationships of Substituted Benzyl Alcohol and Chlorobenzene |
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| QIN Zheng long. Quantitative Structure-Activity Relationships of Substituted Benzyl Alcohol and Chlorobenzene[J]. Journal of Xuzhou Normal University(Natural Science Edition), 2002, 20(2): 45-47 |
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| Authors: | QIN Zheng long |
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| Abstract: | A new connectivity index nH based on A i ,a characteristic value of bioactivity for atom i ,is derived in this paper. 0 H and 1 H have high correlativity for biological activity of substituted benzyl alcohol to Aspergillus Niger ,chlorobenzene to carp,photobacterium phosphoreum and pimephales promelas.It has been demonstrated that the method possesses the advantage of easy computation.The predicting results with nH are also satisfactory. |
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| Keywords: | substituted benzyl alcohol chlorobenzene connectivity index biological activity |
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