AI Article Synopsis
- Computational analysis of metabolomic data is challenging but crucial for identifying biomarkers and understanding metabolic pathways related to patient conditions.
- The MetChem package has been developed to help classify metabolites based on their structural similarities, which can reveal important biological insights.
- MetChem is freely accessible through the R archive (CRAN) and is licensed under the GNU General Public License.
Article Abstract
Summary: 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.
Availabilityand Implementation: 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).
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10322652 | PMC |
| http://dx.doi.org/10.1093/bioadv/vbad053 | DOI Listing |
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