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目的:针对现有整体相似度法难以评价类别相似程度的局限,建立一种可用于谱图相近中药材类别定量评价的相似度计算新方法。方法:先提取药材指纹特征,区分出药材类别,再计算同类药材指纹图谱相似度,以类内相似度的大小来表征同类样品间化学组成的差异情况。结果:该方法能准确分辨九节茶全草与地上部分,并合理地表征出同一药材样品间化学组成差异程度。结论:根据类内相似度的大小可识别中药材同类样品间的化学组成差异,弥补了现有色谱指纹图谱整体相似度计算方法的不足。
OBJECTIVE: To overcome the limitations of existing methods of global similarity, it is necessary to establish a new method of similarity calculation that can be applied to the quantitative evaluation of Chinese medicinal herbs with similar spectra. Methods: Firstly, the fingerprints of medicinal materials were extracted, and the medicinal material categories were distinguished. Then the similarities of the fingerprints of the medicinal materials of the same kind were calculated, and the differences of the chemical compositions among the samples of the same kind were characterized by the similarity degree within the same kind. Results: The method can accurately distinguish the whole plant and aerial part of Jiuchica, and can reasonably characterize the difference of chemical composition among the same medicinal materials. Conclusion: According to the similarities and differences between species, the differences of chemical composition among similar samples of Chinese herbal medicines can be identified, which makes up for the deficiencies of the existing methods for calculating the overall similarity of chromatographic fingerprints.