| 有机工业废水中常见污染物结构与活性关系专家系统研究 |
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| 引用本文： | 王桂莲,白乃彬.有机工业废水中常见污染物结构与活性关系专家系统研究[J].中国环境科学,1997,17(4):0-0. |
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| 作者姓名： | 王桂莲 白乃彬 |
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| 作者单位： | 中科院生态环境研究中心 北京100085 |
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| 摘 要： | 应用专家系统方法对88种有机工业废水中常见污染物的构效关系进行深入研究。结果表明，对学习集中68种化合物的正确分类率达到95％，对其余20种化合物的正确预报率达到90％。并应用量子化学方法对专家系统推理过程中所采用的部分构效关系规律进行解释。
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| 关 键 词： | QSAR 专家系统 污染物 工业废水 |
| 收稿时间： | 1900-01-01; |
Structure activity relationships of general pollutants in organic industrial wastewater |
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| Wang Guilian and Bai Naibin Research Center for Eco Environmental Sciences,Chinese Academy of Sciences,Beijing.Structure activity relationships of general pollutants in organic industrial wastewater[J].China Environmental Science,1997,17(4):0-0. |
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| Authors: | Wang Guilian and Bai Naibin Research Center for Eco Environmental Sciences Chinese Academy of Sciences Beijing |
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| Institution: | Wang Guilian and Bai Naibin Research Center for Eco Environmental Sciences,Chinese Academy of Sciences,Beijing 100085 |
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| Abstract: | The quantitative structure activity relationships of general pollutants in organic industrial wastewater were studied by use of expert system. It showed that the correct classification rate reached 95% in training set including 68 patterns, and the correct prediction rate was about 90% in prediction set including 20 patterns. Some rules used in the expert system were interpreted by means of calculating quantum chemistry parameters,E LUMO and E HOMO . |
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| Keywords: | QSAR expert system pollutants industrial wastewater |
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