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Metabolome molecule variable comprehensive screening technology

A metabolome and variable technology, applied in the direction of measuring devices, material separation, analysis of materials, etc., can solve problems such as inability to draw such conclusions

Inactive Publication Date: 2019-06-07
DALIAN UNIV OF TECH
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Problems solved by technology

Researchers can judge the state of the body through in-depth research on the metabolites of the body, while studies on genes and proteins cannot draw such conclusions

Method used

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  • Metabolome molecule variable comprehensive screening technology
  • Metabolome molecule variable comprehensive screening technology
  • Metabolome molecule variable comprehensive screening technology

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Embodiment Construction

[0060] In the following, a hypothetical data set is constructed in combination with the technical solution to further illustrate the specific implementation manner of the present invention. Assume that there are 10 samples of metabolic data, including two categories (1 and 2), and a total of 4 metabolic molecular variables: f 1 , f 2 , f 3 and f 4 , set k to 3.

[0061] Variable evaluation and screening:

[0062] (1) Calculate the optimal division point of the single variable. with variable f 1 For example: put all training set samples in f 1 Sorting the values ​​above, using the midpoint of two adjacent unequal values ​​as the split point in turn, using the formula (1) to calculate the information gain obtained by dividing the training sample set under each split point, and taking the maximum information gain The corresponding split point is used as the best split point of the variable, so we might as well set the variable f 1 The value of the optimal split point is a...

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Abstract

The invention provides a metabolome molecule variable comprehensive screening technology, and belongs to the technical field of metabonomics data analysis. According to the technology, a plurality ofpossible sample distribution modes on molecular pair variables are considered; the distinguishing capability of the molecular pair variables is comprehensively evaluated; indexes as same as the molecular pair variables are used; single-variable evaluation processes are organically fused; scores of all single variables and pair variables are sorted; and the pair variables with the highest scores and the distribution modes of the pair variables or the single variables are selected to carry out subsequent target metabolic analysis. According to the core technology of a method, based on actual characteristics of metabonomics, multi-angle analysis and comprehensive evaluation are carried out on the plurality of possible sample distribution modes on the pair variables, and the variables with rich information are excavated; and the selected molecular variables and molecular pair variables are subjected to classification testing, and the classification performance is excellent, so that the technology provides the practical and effective method for early-stage analysis processing of metabonomics data, and has relatively high application values.

Description

technical field [0001] The invention belongs to the technical field of metabolomics data analysis. The invention combines the current high-throughput technology with many variables and noises in the non-target metabolome. The molecules in the metabolome of organisms are related to each other through various pathways, and the relationship between molecular variables is complex and diverse. and other practical characteristics, analyze the multiple possible distributions of samples on paired molecular variables, comprehensively evaluate the ability to distinguish between classes of paired molecules, and use a unified index to organically integrate the evaluation process of single molecules. Screening differential metabolic components or combined metabolic components in non-targeted metabolomes for subsequent targeted qualitative and quantitative research is a comprehensive evaluation and screening technology for metabolome molecular variables. Background technique [0002] Meta...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/88G01N30/06
Inventor 林晓惠李佳林张艳慧
Owner DALIAN UNIV OF TECH
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