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.