MetaFetcheR: An R package for complete mapping of small compound data
Sara A. YonesiD, Rajmund Csombordi, Jan KomorowskiiD, Klev DiamantiiD
Abstract
MotivationSmall-compound databases contain large amount of information for metabolites and metabolic pathways. However, the plethora of such databases and the redundancy of their information lead to major issues with analysis and standardization. Lack of preventive establishment of means of data access at the infant stages of a project might lead to mislabelled compounds, reduced statistical power and large delays in delivery of results. ResultsWe developed MetaFetcheR, an open-source R package that links metabolite data from several small-compound databases, resolves inconsistencies and covers a variety of use-cases of data fetching. We showed that the performance of MetaFetcheR was superior to existing approaches and databases by benchmarking the performance of the algorithm in two independent case studies based on two published datasets. AvailabilityMetaFetcheR is available at https://github.com/komorowskilab/MetaFetcheR/.
02 /Specification & Classification
Click any tag to browse matching papers- Citations
- 2
- FWCI
- 0.08
- Field percentile
- 34th percentile
- Assay
- Research Focus
- Approach
Reproducibility ledger
Nobody has reported trying to reproduce this paper yet. Did you replicate an experiment or run the code? Your report saves the next lab a week.
Sign in to file a reproducibility report.
Related papers
- metID: A R package for automatable compound annotation for LC-MS-based data
Xiaotao Shen, Si Wu, … Michael P. Snyder·BioinformaticsPeer-reviewed·Aug 25, 2021
- massDatabase: utilities for the operation of the public compound and pathway database
Xiaotao Shen, Chuchu Wang, Michael P. Snyder·BioinformaticsPeer-reviewed·Aug 9, 2022
- md_harmonize: a Python package for atom-level harmonization of public metabolic data-bases
Huan Jin, Hunter Moseley·MetabolitesPeer-reviewed·Dec 17, 2023
- An open-source platform for reference data-driven analysis of untargeted metabolomics
Alejandro Mendoza Cantu, Julia M. Gauglitz, Wout Bittremieux·Journal of the American Society for Mass SpectrometryPeer-reviewed·Feb 17, 2026
- OmniPath Metabo: chemical structures, interactions and mechanisms to study the metabolome
Jonathan Schaul, Yunfan Bai, … Julio Sáez-Rodríguez·bioRxiv·Jun 19, 2026
- RaMP-DB 2.0: a renovated knowledgebase for deriving biological and chemical insight from genes, proteins, and metabolites
John C. Braisted, Andrew C. Patt, … Ewy A. Mathé·BioinformaticsPeer-reviewed·Nov 14, 2022