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Metabolomics data missing value filling method based on neighboring stability

A technology of metabolomics data and filling method, which is applied in the field of missing value filling of metabolomics data, considering the missing type of metabolite missing value, and can solve the problem of unsatisfactory filling effect of non-random missing type data.

Active Publication Date: 2019-08-06
DALIAN UNIV OF TECH
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AI Technical Summary

Problems solved by technology

The missing value filling algorithm based on k-nearest neighbors can better deal with random missing data in metabolomics data, but the filling effect on non-random missing data is not ideal

Method used

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  • Metabolomics data missing value filling method based on neighboring stability
  • Metabolomics data missing value filling method based on neighboring stability
  • Metabolomics data missing value filling method based on neighboring stability

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Embodiment Construction

[0028]The specific implementation of the method will be further described on the simulated data below in conjunction with the technical solution. The simulated data is only limited to explain the present invention for easy understanding, but not to limit the present invention.

[0029] In table 1, be the simulated data of the present invention, x i Indicates the i-th sample, the data contains 10 samples, m 1 ~ m 5 Indicates 5 metabolites in the data and NaN indicates missing values ​​in the data.

[0030] Table 1: Simulation data

[0031]

[0032] The data in Table 1 contains 4 missing values, which are x 13 ,x 52 ,x 84 ,x 93 . Below with x 13 Take as an example to specify.

[0033] (1) Use the formula (1) to calculate the sample x 1 The distance d between other samples, get: d(x 1 ,x 2 )=1.94,d(x 1 ,x 3 )=1.73,d(x 1 ,x 4 )=3.39,d(x 1 ,x 5 )=3.46,d(x 1 ,x 6 )=4.12,d(x 1 ,x 7 )=2.29,d(x 1 ,x 8 )=2.71,d(x 1 ,x 9 )=2.74,d(x 1 ,x 10 ) = 3.16. Let k=...

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Abstract

The invention provides a metabolomics data missing value filling method based on neighboring stability, wherein the method belongs to the field of metabolomics data analysis technology. The core technology of the method is metering stability of content of k most neighboring samples of a sample containing a missing metabolite in the corresponding metabolite, and filling different types of missing values by means of different strategies. The method has relatively high filling effect to the metabolomics data which contain the missing value and has an important significance to subsequent data analysis, metabolic marker selection, etc.

Description

technical field [0001] The invention belongs to the technical field of metabolomics data analysis, and relates to a method for filling missing values ​​of metabolomics data based on the stability of neighbors. It is a missing type that considers the missing values ​​of metabolites, the similarity between samples and the stability of neighboring samples. A robust missing value imputation method for metabolomics data. Background technique [0002] Metabolomics searches for metabolites related to physiological and pathological changes through systematic qualitative and quantitative research on molecular metabolites in organisms. Methods for qualitative and quantitative analysis of different metabolites include mass spectrometry and nuclear magnetic resonance spectroscopy. Typically, there are many missing values ​​in metabolomics data obtained by mass spectrometry. These missing values ​​mainly come from two aspects: one is that some metabolite content in the sample is not de...

Claims

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Application Information

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IPC IPC(8): G16B5/00G01N27/62
CPCG16B5/00G01N27/62
Inventor 罗霄李超林晓惠
Owner DALIAN UNIV OF TECH
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