MetChem: a new pipeline to explore structural similarity across metabolite modules.
Journal
Bioinformatics advances
ISSN: 2635-0041
Titre abrégé: Bioinform Adv
Pays: England
ID NLM: 9918282081306676
Informations de publication
Date de publication:
2023
2023
Historique:
received:
28
12
2022
revised:
28
02
2023
accepted:
19
04
2023
medline:
10
7
2023
pubmed:
10
7
2023
entrez:
10
7
2023
Statut:
epublish
Résumé
Computational analysis and interpretation of metabolomic profiling data remains a major challenge in translational research. Exploring metabolic biomarkers and dysregulated metabolic pathways associated with a patient phenotype could offer new opportunities for targeted therapeutic intervention. Metabolite clustering based on structural similarity has the potential to uncover common underpinnings of biological processes. To address this need, we have developed the MetChem package. MetChem is a quick and simple tool that allows to classify metabolites in structurally related modules, thus revealing their functional information. MetChem is freely available from the R archive CRAN (http://cran.r-project.org). The software is distributed under the GNU General Public License (version 3 or later).
Identifiants
pubmed: 37424942
doi: 10.1093/bioadv/vbad053
pii: vbad053
pmc: PMC10322652
doi:
Types de publication
Journal Article
Langues
eng
Pagination
vbad053Informations de copyright
© The Author(s) 2023. Published by Oxford University Press.
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