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Evaluation method for chromatographic fingerprint similarity

A technology of similarity evaluation and fingerprinting, which is applied in the direction of measuring devices, instruments, scientific instruments, etc., and can solve problems such as difficult drugs, food quality stability and safety requirements

Active Publication Date: 2013-09-04
XUZHOU NORMAL UNIVERSITY
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Problems solved by technology

[0005] The purpose of the present invention is to propose a method for evaluating the similarity of chromatographic fingerprints in view of the problem that the existing fingerprint similarity algorithm is difficult to fully meet the requirements for drug and food quality stability and safety

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  • Evaluation method for chromatographic fingerprint similarity
  • Evaluation method for chromatographic fingerprint similarity
  • Evaluation method for chromatographic fingerprint similarity

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Embodiment Construction

[0030] The present invention will be further described below in conjunction with the drawings and embodiments.

[0031] A method for evaluating the similarity of chromatographic fingerprints, which includes the following steps:

[0032] (1) Use a standard sample to establish a control fingerprint, and the vector of the control fingerprint is 1≤i≤n, where n is the number of chromatographic peaks of the control fingerprint, that is, the total number of components in the standard sample; y i Represents the peak area or peak height of component i in the standard sample;

[0033] (2) Use the same chromatographic conditions as the control fingerprint to establish the sample fingerprint of the sample to be evaluated. The vector of the sample fingerprint is: X → = ( x 1 , x 2 , x 3 , . . . , x i , . . . x n , x a 1 , x a 2 , x a 3 , . . . , x aj , . . . x am ) ...

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Abstract

The invention discloses an evaluation method for chromatographic fingerprint similarity. The method comprises the following steps of: creating a contrast fingerprint through a standard sample; creating a sample fingerprint of a sample to be evaluated under chromatographic conditions same as those for creating the contrast fingerprint; comparing each peak value in the sample fingerprint with the corresponding peak value in the contrast fingerprint to obtain the ratio fingerprint vector and contrast ratio fingerprint vector of the sample; and calculating the similarity S of the two ratio vectors. The evaluation method disclosed by the invention not only is capable of reflecting the similarity of shared peaks of the fingerprint of the sample to be evaluated and the standard fingerprint, but also considers the effects of the number and the sizes of non-shared peaks on product quality, thus being capable of integrally reflecting the similarity of fingerprints of samples. The similarity can be used for sensitively and quantitatively expressing the qualitative and quantitative difference between the sample fingerprint and the standard fingerprint, reliably verifying medicines and food and better controlling the quality of medicines and food from quality stability and safety.

Description

Technical field [0001] The invention belongs to the field of medicines and foods, and specifically belongs to the technical field of medicines and foods chromatographic fingerprint quality control. Background technique [0002] Fingerprint technology is currently recognized as the most effective and reliable technology for comprehensively controlling the quality of complex components such as traditional Chinese medicine and food. [0003] The key of fingerprint quality control technology for quality control is the similarity evaluation theory and its software. At present, the most widely used methods for evaluating the similarity of chromatographic fingerprints mainly include Tanimoto, peak overlap ratio and improvement methods, vector angle cosine, correlation coefficient, combination similarity, multiple degrees of similarity based on similar system theory, and ratio qualitative similarity. , Total statistical moment similarity, distance similarity and weighted Mahalanobis dista...

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Application Information

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IPC IPC(8): G01N30/86
Inventor 孟庆华闫艳李广超李亮蒋德林
Owner XUZHOU NORMAL UNIVERSITY
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