色谱指纹图谱相似度的新算法及其应用

A new algorithm and application of similarity between chromatographic fingerprints

目的 :提出一种简单实用的色谱指纹图谱相似度计算方法。方法 :将色谱指纹图谱的重叠率和共有峰的峰强度结合计算相似度。结果 :将该算法应用于两篇文献中的样品指纹图谱 ,结果与实际完全一致。结论 :用本文提出的方法计算相似度能敏感反映谱图间的差异 ,计算简单 。

Objective: To provide an easy and feasible algorithm of the similarity between chromatographic fingerprints of herbs. Methods: To calculate similarity by combining the chromatographic overlap rate with relative area or height of mutual peaks of chromatographic fingerprints. Results: The algorithm was applied to the chromatographic fingerprints of samples in two references and the result is consistent with the fact. Conclusion: The calculated similarity with the proposed method can be sensitive to indicate the difference between fingerprints of herbs and the provided algorithm is simple and easy to be used.