| 定量结构-性质/活性关系在分析和环境化学中的进展及应用 |
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| 引用本文： | 李鹏霞,陈晶,周喜斌,卢小泉. 定量结构-性质/活性关系在分析和环境化学中的进展及应用[J]. 分析科学学报, 2011, 27(2): 241-245 |
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| 作者姓名： | 李鹏霞 陈晶 周喜斌 卢小泉 |
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| 作者单位： | 西北师范大学化学化工学院; |
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| 基金项目： | 国家自然科学基金(No.20775060,21005063,20945003) |
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| 摘 要： | 定量结构-性质/活性关系(QSPR/QSAR)是目前国际上一个比较活跃的研究领域.该方法将理论计算方法和各种统计分析工具相结合,研究系列化合物的结构与其生物活性和各种物理化学性质之间的定量函数关系.QSPR/QSAR不仅可以建立预测化合物的各种理化性质以及生物活性的理论模型,而且可以发现和确定对化合物的各种性质起决定作...
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| 关 键 词： | 定量结构-性质/活性关系 分析化学 环境化学 |
Advances and Applications of Quantitative Structure-Property/Activity Relationship in Analytical and Environmental Chemistry |
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| LI Peng-xia,CHEN Jing,ZHOU Xi-bin,LU Xiao-quan. Advances and Applications of Quantitative Structure-Property/Activity Relationship in Analytical and Environmental Chemistry[J]. Journal of Analytical Science, 2011, 27(2): 241-245 |
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| Authors: | LI Peng-xia CHEN Jing ZHOU Xi-bin LU Xiao-quan |
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| Affiliation: | LI Peng-xia,CHEN Jing,ZHOU Xi-bin,LU Xiao-quan(College of Chemistry and Chemical Engineering,Northwest Normal University,Lanzhou 730070) |
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| Abstract: | The quantitative structure-property/activity relationship(QSPR/QSAR) study applies computational methods and various statical analysis tools to building the quantitative relationship between the structures of compounds and their properties.It can both build some theory methods to predict the physical-chemical properties and find the structural features responsible for various properties.From the built models,the influence of compounds structure to the properties from the molecular level can be understood.In... |
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| Keywords: | Quantitative structure-property/activity relationship Analytical chemistry Environmental chemistry |
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