MetChem
MetChem analyzes metabolomic profiling data by clustering metabolites based on structural similarity to identify metabolite modules and reveal dysregulated pathways associated with patient phenotypes.
Key Features:
- Structural Similarity Analysis: Clusters metabolites based on structural similarity to reveal common chemical features and relationships.
- Metabolite Module Classification: Classifies metabolites into structurally related modules that reflect functional relationships within metabolic pathways.
Scientific Applications:
- Metabolic biomarker identification: Identifies metabolic biomarkers by grouping structurally similar metabolites associated with patient phenotypes.
- Dysregulated pathway analysis: Identifies dysregulated metabolic pathways associated with various patient phenotypes.
- Translational research and therapeutic targeting: Reveals metabolite modules that may indicate potential avenues for targeted therapeutic interventions and personalized medicine.
Methodology:
Clustering metabolites based on structural similarity and classifying them into structurally related modules to reflect functional relationships in metabolomic profiling data.
Topics
Details
- License:
- GPL-3.0
- Cost:
- Free of charge
- Tool Type:
- library
- Operating Systems:
- Mac, Linux, Windows
- Programming Languages:
- R
- Added:
- 1/1/2024
- Last Updated:
- 11/24/2024
Operations
Publications
Abdel-Shafy EA, Melak T, MacIntyre DA, Zadra G, Zerbini LF, Piazza S, Cacciatore S. MetChem: a new pipeline to explore structural similarity across metabolite modules. Bioinformatics Advances. 2023;3(1). doi:10.1093/bioadv/vbad053. PMID:37424942. PMCID:PMC10322652.