| 应用模式识别法研究芳腈化合物结构与活性的关系 |
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| 引用本文： | 韩朔睽,许榕.应用模式识别法研究芳腈化合物结构与活性的关系[J].环境化学,1995,14(3):279-283. |
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| 作者姓名： | 韩朔睽 许榕 |
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| 作者单位： | 南京大学环境科学与工程系!南京210093(韩朔睽，许榕，王连生)，南京大学化学系(张正) |
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| 摘 要： | 基于２３个芳腈衍生物对发光菌的毒性疚和一批结构参数，用模式识别法研究了结构与活性的关系。在化合物的生物活性类别与模式特征之间建立的３个类别判别函数对化合物活性类别的判别正确率达９１．３％，并为进一步的研究工作合理地挑选了４个代表性化合物。
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| 关 键 词： | 芳腈化合物 结构活性 模式识别 判别函数 |
STUDIES OF STRUCTURE-ACTIVITY RELATIONSHIPS FOR AROMATIC NITRILES BY USING PATTERN-RECOGNIZATION TECHNIQUES |
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| Han Shuokui Xu Rong Wang Liansheng Zhang Zheng.STUDIES OF STRUCTURE-ACTIVITY RELATIONSHIPS FOR AROMATIC NITRILES BY USING PATTERN-RECOGNIZATION TECHNIQUES[J].Environmental Chemistry,1995,14(3):279-283. |
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| Authors: | Han Shuokui Xu Rong Wang Liansheng Zhang Zheng |
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| Abstract: | The structure-activity relationships were studied by using pattern-recognization techniques on the basis of the toxic effects to a photoluminescent bacterium and batch structural parameters for 23 aromatic nitriles. The activity classes of 91. 3 % of the compounds were correctly discrimi-nanted by 3 classification discriminant functions which were established between activity classes and pattern features, and 4 representative compounds were reasonably selected for further studying. |
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| Keywords: | aromatic nitriles structure-activity relationships pattern recognization discriminant functions |
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