Evidence map›Paper›PMID 39702618›Full record

ArticleMetabolomics : Official journal of the Metabolomic Society2024

A-SIMA/A-MAP: a comprehensive toolkit for NMR-based metabolomics analysis.

Abigail Chiu, Mehdi Rahimi, Woonghee Lee

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In one paragraph

Article in Metabolomics : Official journal of the Metabolomic Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Modernizing biomolecular NMR: The POKY suite.The Journal of biological chemistry · 2026
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Abigail ChiuDepartment of Chemistry, University of Colorado Denver, Denver, CO, 80204, USA.ORCID http://orcid.org/0000-0002-2362-0769
Mehdi RahimiDepartment of Chemistry, University of Colorado Denver, Denver, CO, 80204, USA.ORCID http://orcid.org/0000-0001-7812-7333
Woonghee LeeDepartment of Chemistry, University of Colorado Denver, Denver, CO, 80204, USA. woonghee.lee@ucdenver.edu.ORCID http://orcid.org/0000-0002-0964-203X

Funding

National Science Foundation 2051595
6 · The paper itself

Abstract

introductionMetabolomics is the comprehensive study of small molecules in biological systems. It has recently garnered attention for its wide variety of applications such as diseases, drug treatments, agriculture, and more. As the interest in metabolomics grow, meeting the demands of cutting-edge research requires software tools that not only advance analytical capabilities, but also prioritize user-friendly features.

objectivesIn response to this need, we present two new computer programs, A-SIMA: Advanced-Software for Interactive Metabolite Analysis and A-MAP: A Multivariate Analysis Program. These tools aim to introduce new capabilities for metabolite identification and data analysis, and thereby advancing the computational methodology in NMR-based metabolomics.

methodsA-SIMA is designed with an easy-to-use graphical user interface which allows users to perform metabolite identification on 1D and 2D NMR data effortlessly with complete control over the identification process. Similarly, A-MAP facilitates multivariate statistical analysis of metabolite data through a straightforward process. It offers analysis options such as Principal Component Analysis and Orthogonal Partial Least Squares-Discriminant Analysis using regions of interests as inputs.

resultsBoth A-SIMA and A-MAP are pre-built in the POKY suite, available at https://poky.clas.ucdenver.edu , with tutorial videos on YouTube for guidance on not only the programs, but also installation. The POKY suite is a software program for NMR biomolecular analysis. With the addition of these programs in POKY, researchers and professionals can experience a fully integrated process for every step of their metabolite analysis. Data can also be easily exported from these programs to be applied elsewhere.

conclusionThe introduction of A-SIMA and A-MAP can be promising tools that can lead significant advancements in metabolomics research. These tools offer enhanced capabilities for metabolite analysis and statistical modelling in a user-friendly manner. Their integration into the POKY suite ensures accessibility, usability, and efficiency.

Indexed as

Magnetic Resonance SpectroscopyMetabolomicsSoftwareMultivariate AnalysisPrincipal Component AnalysisUser-Computer InterfaceA-MAPA-SIMAMetabolomicsMetaLibNMRPOKYSoftware

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.