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MetChem

This is a pipeline to explore structural similarity across metabolite network

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Version

Install

install.packages('MetChem')

Monthly Downloads

45

Version

0.5

License

GPL (>= 2)

Maintainer

Stefano Cacciatore

Last Published

June 4th, 2025

Functions in MetChem (0.5)

pathwaysMet

Metabolic Pathways
propertiesMet

Physical Proprieties of metabolites
write.cls

Write a CLS file
Metabolites

Metabolomic Dataset
HFD

HFD Dataset
WMCSA

Weighted Metabolite Chemical Structural Analysis
allbranches

Cut a Tree into Groups of Data
diseasesMet

Metabolite-associated Diseases
enzymesMet

Metabolite-associated Enzymes
chemical.dissimilarity

Chemical dissimilarity.
clusters.detection

Detection of clusters.
KODAMA.chem.sim

KODAMA chemical similarity.
substituentsMet

Metabolite substituents
readMet

Metabolite Cards Reading
nameMet

Name of metabolites
taxonomyMet

Metabolite Taxonomy
features

Cluster features extraction
tree.cutting

Optimal cluster number calculation.
ChemRICH

ChemRICH Dataset
write.gct

Write a GCT file
write.gmt

Write a GMT file
selectionMet

Metabolites selection