高等学校化学学报

高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (6): 775.

• 研究简报 • 上一篇    下一篇

黄酮类化合物13C核磁共振谱的模式识别分类研究

张亮, 张正行, 盛龙生, 安登魁   

  1. 中国药科大学药物分析研究室, 南京 210009
  • 收稿日期:1992-07-07 修回日期:1992-11-10 出版日期:1993-06-24 发布日期:1993-06-24
  • 通讯作者: 张亮

Pattern Recognition Application to 13C NMR Spectra of Flavone Compounds

ZHANG Liang, ZHANG Zheng-Xing, SHENG Long-Sheng, AN Deng-Kui   

  1. Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, 210009
  • Received:1992-07-07 Revised:1992-11-10 Online:1993-06-24 Published:1993-06-24

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关键词: 模式识别, Shannon信息理论, 13C核磁共振光谱, 黄酮, 黄酮醇

Abstract: Aset of 6413C NMRspectra of flavone compounds were examined for information concerning chemical classes by pattern recognition.The Shannon information content for each chemical shift channel was calculated, the 14 channels with the highest information content were retained as a compressed basis set for SIMCA, LDAand KNNpattern recognition.The inherent class structure of the data showed two classes by NLM.Classification accuracy was 90.91%, 96.97% and 90.91% for two classes for SIMCA, LDAand KNN, respectively.

Key words: Pattern recognition, Shannon information theory, 13C NMR spectra, Flavone, Flavonol

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