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This is the repository (code) for the paper titled: "Identification of metabotypes through fasting and postprandial metabolomics: charting a path for personalized nutritional strategies "

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Metabotype_NMR

This is the repository (code) for the paper titled: "Metabotype identification via fasting and postprandial metabolomics and its association with type 2 diabetes incidence", published on doi: 10.1186/s12933-025-02821-6, Cardiovasc Diabetol. 2025 Jul 8.

For more related questions, please feel free to send email to [email protected].

Content Guide:

The page contains the step to reproduce the results:

  • 00_Prepration.R: Data cleaning and metabolites measurement transformation
  • 01_IPVs.R: IPVs selecting principal metabolites as inputs for consensus clustering analysis
  • 02_baseline_table.R: This script describe the baseline character of participants included, across each cluster
  • 03_Cox_model.R: This script conducts cox regression model for clusters (related with T2DM incidence) and how to evaluate the predictive value of cox model
  • 04_Comparison_Metabolites.R: Plot the key metabolites for metabotypes with gradient T2DM risk
  • 05_Comparison_Diet_score.R: comparison of dietary pattern scores across different metabotypes
  • 06_SHAP_Plot_code: using python to run the random forest multi-classification model

In addition, you also need to source two functions: (using source function to load them)

  • ConsensusCluster_function.R: to determine the optimal number of clusters
  • KNN_Functions.R: to perform the KNN imputation for metabolomics data (fasting, postprandial and delta state)

Revision:

  • Base on the suggestion of Reviewer, we add the "VarExp_by_iPVs.R", to calculate the variance explained by metabolites (selected using IPVs method) for the whole metabolomic data

Other .Rdata data are the inputs you need to use.

  • Due to the data restriction, we can not share the .Rdata publicly. However, the pipeline of code can be applied successfully if you use your own dataset.

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This is the repository (code) for the paper titled: "Identification of metabotypes through fasting and postprandial metabolomics: charting a path for personalized nutritional strategies "

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