| 一种利用质谱信息进行结构特征鉴定的模式识别方法 |
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| 引用本文： | 杨伯宇,朱大模,佘建文,洪群发,许崇德,刘人余,卢佩章.一种利用质谱信息进行结构特征鉴定的模式识别方法[J].分析测试学报,1992(3). |
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| 作者姓名： | 杨伯宇 朱大模 佘建文 洪群发 许崇德 刘人余 卢佩章 |
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| 作者单位： | 中国科学院大连化学物理研究所
(杨伯宇，朱大模，佘建文，洪群发，许崇德，刘人余)，中国科学院大连化学物理研究所(卢佩章) |
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| 摘 要： | 本文提出了分段式离子系列谱编码方法,实验证明具有很好的结构表征能力。本程序主要是以模式识别技术为基础,实现了对未知物谱图的KNN分类,进而得到未知物的主要结构特征。这个程序应用于有机化合物的分类,取得了满意的结果。
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| 关 键 词： | 质谱 模式识别 甾族化合物 |
A Pattern Recognition Method for Structure Feature Identification form Mass Spectral Information |
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| Yang Boyu,Zhu Damo,She Jianwen,Hong Qunfa,Xu Chongde,Liu Renyu,Lu Peichang Dalian Institute of Chemical Physics,Dalian.A Pattern Recognition Method for Structure Feature Identification form Mass Spectral Information[J].Journal of Instrumental Analysis,1992(3). |
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| Authors: | Yang Boyu Zhu Damo She Jianwen Hong Qunfa Xu Chongde Liu Renyu Lu Peichang Dalian Institute of Chemical Physics Dalian |
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| Institution: | Yang Boyu,Zhu Damo,She Jianwen,Hong Qunfa,Xu Chongde,Liu Renyu,Lu Peichang Dalian Institute of Chemical Physics,Dalian,116012 |
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| Abstract: | A Segmented ion series spectral encoding method has been first proposed in this work andthe present series of experiments have shown that the structure feature of a compound can bebetter characterized by this method. The main point of this program is based on pattern recog-nition techniques, the chief structure feature of an unknown can be obtained from the KNN clas-sification results. Very satisfied results have been given by this program when it is used to theclassification of organic compounds. |
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| Keywords: | Mass spectrometry Pattern recognition Steroids |
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