利用指纹图谱相似度评价中药质量时,色谱指纹图谱样本的数量有限。小样本条件下指纹图谱相似度值的分布难以满足正态分布或近似正态分布,不适合直接利用传统的区间估计方法来确定相似度的阈值。本文利用Bootstrap方法扩增样本,建立了小样本条件下的指纹图谱相似度阈值确定方法,并通过3个具体实例说明指纹图谱相似度阈值确定的具体过程。首先通过Bootstrap方法扩增样本,然后利用单侧区间估计方法确定相似度下限,得到相似度的阈值。以上3个实例说明了用该方法建立中药指纹图谱相似度阈值的合理性和可行性。此方法适用于由不同相似度计算方法所得相似度值。本文从理论、技术和应用的角度阐述了确定中药指纹图谱相似度阈值的方法,该方法将对指纹图谱技术的推广应用产生积极作用。
The number of the samples is usually limited which chromatographic fingerprints similarity are used for the quality evaluation of traditional Chinese medicine(TCM). Fingerprints similarity distribution of the samples does not meet the normal distribution or approximate normal distribution because of the small sample size, and it is not suitable to determine the similarity threshold directly by interval estimation. A Method for determining the similarity threshold of f'mgerprints was proposed in this paper, and the determination process was illustrated by the chromatographic fingerprints similarity of 3 kinds of samples, which are Radix Salviae Miltiorrhizae, Sanhuang tablets and Smilax glabra Roxb. The number of samples was amplified by the Bootstrap method, and the lower limit of the chromatographic fingerprints similarity values was estimated by interval estimation. The effectiveness and feasibility of this method was confirmed by the above 3 examples, and the above method can be used to determine the threshold for the fingerprints similarity values calculated by different similarity measures. The method determining fingerprints similarity threshold based on the Bootstrap method and interval estimation is illustrated in this paper from the perspective of theory, technology and applications, which will have a positive impact on promoting the application of fingerprint technology in traditional Chinese medicine.