| 有机物气相色谱法中光离子化灵敏度的定量结构与性质相关性研究 |
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| 引用本文： | 郭明,陈前德,刘文杰,许禄.有机物气相色谱法中光离子化灵敏度的定量结构与性质相关性研究[J].分析化学,2000,28(1):6-11. |
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| 作者姓名： | 郭明 陈前德 刘文杰 许禄 |
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| 作者单位： | [1]塔里木农垦大学基础课部 [2]中国科学院长春应用化学研究所 |
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| 基金项目： | 国家自然科学基金，新疆生产建设兵团科委科研基金 |
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| 摘 要： | 把Ａｍ拓扑指数与分子连接性指数用于有机化合物气相色谱分析的光离子化灵敏度的结构－性质相关性研究中，并将遗传算法（ＧＡ）引用于本研究中建模，与相应体系的光离子化灵敏度进行相关分析时发现，Ａm指数，分子连接性指数均能较好地反映化合物的结构特征，但各有特点，ＧＡ算法所得结果优于多元回归分析。
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| 关 键 词： | 拓扑指数 定量结构 光离子化灵敏度 有机物 |
Quantitative Structure-Property Relationship Research to the Analysis of Photoionization Sensitivity of Organic Compounds in Gas Chromatography |
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| Guo Ming, Chen Qiande, Liu Wenjie.Quantitative Structure-Property Relationship Research to the Analysis of Photoionization Sensitivity of Organic Compounds in Gas Chromatography[J].Chinese Journal of Analytical Chemistry,2000,28(1):6-11. |
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| Authors: | Guo Ming Chen Qiande Liu Wenjie |
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| Abstract: | The Am index and moecular counectivity index were used for studying the photoionization sensitivity of some organic compounds in gas chromatography. The analsis of structure-property relationship betwee the photoionization sensitivity of the compounds and the Am indices or molecular connectivity indices has been carried out. The genetic algorighm was used to build the correlation model in this field. The results demonstrate tha the property of compounds can be described by both Am indices and molecular connectivity indices, and the mathematical model obtained by the genetic algorithm was better than that by multivariate regression analysis. |
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| Keywords: | Topological index quantitative structure-property relationship photoionization sensitivity genetic algorithm |
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