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Fingerprint spectrum similarity calculation method and device and sample quality evaluation system

A similarity calculation and fingerprint technology, which is applied in the sample quality evaluation system, fingerprint similarity calculation method, and device fields, can solve problems such as insufficient sensitivity and difficulty in distinguishing

Inactive Publication Date: 2018-03-09
SHANDONG UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

At present, the calculation methods of fingerprint similarity mainly include two categories, one is based on the overall shape of the fingerprint, and qualitatively judges the samples by comparing the number of characteristic peaks of the fingerprint, the relative intensity ratio and the position of the characteristic peaks, etc. The similarity or difference of chemical composition, such as correlation coefficient method, angle cosine method, Nei coefficient method, etc., these methods have no effect on the fluctuation of fingerprint characteristic peaks (such as peak area, peak height or peak intensity, especially small peaks) ) is not sensitive enough; the other is to quantitatively judge the difference or similarity of the chemical composition content of the sample by comparing the difference in the characteristic peak area or peak height or intensity of the fingerprint, such as the similarity algorithm based on distance. The change of the characteristic peak quantity of the fingerprint is relatively sensitive, but it is difficult to distinguish whether the change of the similarity of the fingerprint is caused by the change of the chemical composition of the sample or the fluctuation of the characteristic peak quantity

Method used

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  • Fingerprint spectrum similarity calculation method and device and sample quality evaluation system
  • Fingerprint spectrum similarity calculation method and device and sample quality evaluation system
  • Fingerprint spectrum similarity calculation method and device and sample quality evaluation system

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Experimental program
Comparison scheme
Effect test

Embodiment 1

[0066] This embodiment discloses a method for computing fingerprint similarity, comprising the following steps:

[0067] Step 1: Select a standard reference sample, measure its fingerprint under certain conditions, and use the fingerprint as a standard reference fingerprint; or measure the fingerprints of multiple batches of samples according to relevant technical requirements, and then generate a standard reference fingerprint;

[0068] Step 2: Determining the fingerprint of the sample to be tested under the same conditions as the standard sample to obtain the fingerprint of the sample to be tested;

[0069] Step 3: Calculate the correlation coefficient between the sample to be tested and the standard reference sample, the formula is as follows:

[0070]

[0071] Step 4: Calculate the difference similarity coefficient between the fingerprints of the sample to be tested and the standard reference sample, the formula is as follows:

[0072]

[0073] x in the above two fo...

Embodiment 2

[0080] The purpose of this embodiment is to provide a computing device.

[0081] A device for calculating the similarity of fingerprints, comprising a memory, a processor, and a computer program stored in the memory and operable on the processor, and the processor implements the following steps when executing the program, including:

[0082] Step 1: Establish a standard reference fingerprint;

[0083] Step 2: Obtain the fingerprint of the sample to be tested;

[0084] Step 3: Calculate the correlation coefficient R between the standard reference fingerprint and the sample fingerprint 1 ;

[0085] Step 4: Calculating the difference similarity coefficient R between the standard reference fingerprint and the sample fingerprint 2 ;

[0086] Step 5: Calculate the comprehensive similarity based on the correlation coefficient and the difference similarity coefficient:

[0087]

[0088] Among them, δ is the weight factor, and its value range is 0≤δ≤1; u and v are R respectivel...

Embodiment 3

[0090] The purpose of this embodiment is to provide a computer-readable storage medium.

[0091] A computer-readable storage medium, on which a computer program is stored for calculating the similarity of fingerprints. When the program is executed by a processor, the following steps are performed:

[0092] Step 1: Establish a standard reference fingerprint;

[0093] Step 2: Obtain the fingerprint of the sample to be tested;

[0094] Step 3: Calculate the correlation coefficient R between the standard reference fingerprint and the sample fingerprint 1 ;

[0095] Step 4: Calculating the difference similarity coefficient R between the standard reference fingerprint and the sample fingerprint 2 ;

[0096] Step 5: Calculate the comprehensive similarity based on the correlation coefficient and the difference similarity coefficient:

[0097]

[0098] Among them, δ is the weight factor, and its value range is 0≤δ≤1; u and v are R respectively 1 and R 2 The sensitivity factor...

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Abstract

The invention discloses a fingerprint spectrum similarity calculation method and device and a sample quality evaluation system. The method is characterized by comprising the following steps that a standard reference fingerprint spectrum is established; the fingerprint spectrum of a to-be-measured sample is obtained; the correlation coefficient R1 between the standard reference fingerprint spectrumand the fingerprint spectrum of the to-be-measured sample is calculated; the difference similarity coefficient R2 between the standard reference fingerprint spectrum and the fingerprint spectrum of the to-be-measured sample is calculated; based on the correlation coefficient and the difference similarity coefficient, the comprehensive similarity is calculated. The calculation method can reflect the similarity degree of samples from two aspects, namely the chemical composition and content difference of the sample, and can meet the requirements of different types of complex sample systems.

Description

technical field [0001] The invention belongs to the field of chemical product quality evaluation, and in particular relates to a fingerprint similarity calculation method, a device and a sample quality evaluation system. Background technique [0002] Fingerprint refers to certain complex material systems, such as traditional Chinese medicine, the DNA of a certain organism or tissue or cell, and the chromatogram or spectrum that can characterize the characteristics of its chemical substances obtained after proper processing and certain analysis methods. . Fingerprints are widely used in the field of quality control and evaluation of traditional Chinese medicine, and are mainly used to evaluate the authenticity, goodness and stability of the quality of Chinese medicinal materials and their semi-finished products of traditional Chinese medicine preparations. Fingerprints are mainly aimed at the analysis system of multi-component complex substances. Based on modern instrumental...

Claims

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Application Information

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IPC IPC(8): G06F19/00
CPCG16C20/20
Inventor 姜红聂磊姜文文刘肖雁苏美田进国
Owner SHANDONG UNIV
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