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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。
In this paper, we propose a method of spectrum coding of segmented ion series. Experiments show that it has good ability of structure characterization. This procedure is mainly based on pattern recognition technology, to achieve the KNN classification of unknown spectrum, and then get the main structural characteristics of unknown objects. This program is applied to the classification of organic compounds and achieved satisfactory results.