What does this strategy enable?
ChemRICH combines chemical ontology and structural similarity with set-level statistics, without requiring membership in predefined biochemical pathways.
Transferable workflow
Workflow
- 1
Prepare identified metabolites and statistics
Provide structures, identifiers and per-metabolite comparison statistics.
- 2
Construct chemical sets
ChemRICH combines MeSH annotations and Tanimoto similarity into non-overlapping groups.
- 3
Evaluate and interpret enrichment
Use the published Kolmogorov-Smirnov set test and inspect directions of change.
Connected resources
Tools used in this strategy
Strategy profile
Components
Statistical analysis, Metadata analysis
Scope and considerations
Designed for
- Chemical-class interpretation of identified MS metabolomics measurements.
Important requirements
- Chemical structures/identifiers and valid comparison statistics.
Considerations
- Does not infer identities for unknown m/z features. Chemical-set enrichment is not proof of pathway activation or flux.
Reusable resources
✓ Published method available
Publication
Chemical Similarity Enrichment Analysis (ChemRICH) as alternative to biochemical pathway mapping for metabolomic datasets