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imputomics: web server and R package for missing values imputation in metabolomics data.

Jarosław Chilimoniuk1, Krystyna Grzesiak1,2, Jakub Kała1

  • 1Clinical Research Centre, Medical University of Białystok, Białystok, Poland.

Bioinformatics (Oxford, England)
|February 20, 2024
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Summary
This summary is machine-generated.

This study introduces "imputomics," an R package and web app simplifying missing value imputation for mass spectrometry metabolomics data. It offers 41 algorithms and a novel selection tool to improve data quality and analysis.

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Area of Science:

  • Metabolomics
  • Bioinformatics
  • Data Science

Background:

  • Missing values are prevalent in mass spectrometry-based metabolomics data.
  • Accurate imputation of missing values is essential for robust statistical analysis, machine learning, and data completeness.
  • Existing Missing Value Imputation Algorithms (MVIAs) are numerous but challenging to use due to dependency, documentation, and stability issues.

Purpose of the Study:

  • To develop a user-friendly tool for imputing missing values in metabolomics data.
  • To provide a comprehensive solution addressing the challenges associated with existing MVIAs.
  • To introduce a novel method for selecting optimal MVIAs based on performance and execution time.

Main Methods:

  • Developed the 'imputomics' R package and a Shiny web application.
  • Integrated 41 established Missing Value Imputation Algorithms (MVIAs) and a random imputation baseline.
  • Implemented a new functionality for recommending MVIAs tailored for metabolomics data.

Main Results:

  • The 'imputomics' package offers a convenient wrapper for 41 MVIAs.
  • A web application and command-line tool are available for easy access.
  • A novel selection functionality aids in choosing the best-performing MVIAs for specific metabolomics datasets.

Conclusions:

  • 'imputomics' simplifies the complex landscape of missing value imputation in metabolomics.
  • The package enhances data quality and facilitates more reliable downstream analyses.
  • 'imputomics' is freely available, promoting wider adoption and reproducibility in the field.