Peptide fragment-spectrogram matching credibility testing method and system, storage medium and device

Abstract

The invention provides a peptide fragment-spectrogram matching credibility testing method and system, a storage medium and a device, and the method comprises the steps: inputting the spectrogram datain a to-be-detected result into an open search engine, and obtaining an identification result of the to-be-detected result; obtaining the score of the limited search engine on the result to be detected to obtain a first score, and extracting the n candidate peptide fragments with the first scores being in the front; obtaining the score of the open search engine on the identification result to obtain a second score, and extracting the n candidate peptide fragments with the second scores being in the front at the same time; predicting a theoretical spectrogram of each candidate peptide fragment,calculating cosine similarity between each theoretical spectrogram and the map data in the to-be-detected result, and counting the highest value in the cosine similarity; extracting a four-dimensional feature composed of the first score, the second score, the cosine similarity and the highest cosine similarity value of the to-be-detected result; and inputting the four-dimensional features into anoffline model trained by using an SVM to obtain a credibility test result of the to-be-detected result.

Description

technical field [0001] The invention relates to the field of computational proteomics, and in particular to a method, system, storage medium and device for checking the reliability of peptide-spectrum matching. Background technique [0002] Computational proteomics is a discipline that uses computing technology and information retrieval technology to analyze proteomic mass spectrometry data. It is of great significance to the identification of proteins and the study of biological and physiological processes. With the development of mass spectrometers, the acquisition speed and number of tandem mass spectra have increased dramatically, and a mass spectrometry experiment can collect millions of mass spectra. Although a large number of search engines have been developed in the field to analyze mass spectrometry data in depth and efficiently, serious quality control problems brought about by this large-scale data cannot be avoided. [0003] At present, the methods for testing t...

AI Technical Summary

Problems solved by technology

[0009] The technical purpose of the present invention is to solve the problem of insufficient quality control of protein search engine identification results in the field of computational proteomics, and to study the relationship between these indicators and search engine evaluation indicators by designing two evaluation indicators of the credibility testing method , established the practical application standard of the reliability test method

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