Metabolomics Navigator Tools, strategies & workflow guidance for metabolomics

Molecular networking and chemical similarity

MolNetEnhancer

Combine molecular networking, substructure motifs and chemical classifications into annotated networks.

LC-MSWeb applicationPython packageR packageSource available with restrictions
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Overview

MolNetEnhancer integrates outputs from GNPS networking, MS2LDA and supported in-silico annotation tools to help interpret chemical families.

What can this tool do?

Network visualizationCompound-class prediction

Common uses

  • Add class and motif context to molecular networks.
  • Prioritize families for closer spectral inspection.

Scientific fit

Primary function

Molecular networking and chemical similarity

Data compatibility

Inputs

Statistical results, Compound list or annotations

Outputs

Human-readable report

Input formats

Other, Networking jobs and annotation outputs

Output formats

Other, Annotated molecular networks

Scope and considerations

Designed for

  • Add class and motif context to molecular networks.

Not designed for

  • Converting propagated annotations into confirmed identities.

Important requirements

  • Compatible molecular-networking results and the identifiers required by the selected annotation inputs.

Considerations

  • Inspect the evidence behind each node or family; incomplete or incorrect input annotations can propagate through the overview.

Education

Learn this tool

External tutorials and workshops collected by Navigator. Entries marked Needs review have not been checked end to end.

GNPS MolNetEnhancerDorrestein Lab · Video Workshop · Needs reviewNTMSS2022 Day3 S3 - MS2LDA and MolNetEnhancerFunctional Metabolomics Lab · Video Workshop · Needs review

Browse all education resources →

Access and documentation

Primary access

Freely available workflow; component tools and chemical classification services have their own terms.

Evidence and review

Documentation-based editorial review on 7 September 2026. Scope and limitations summarize the linked official sources; software execution and developer verification were not assessed.

Core publications

Resource papers, direct updates and tool-specific methods. Selection policy.

  1. Ernst M, Kang KB, Caraballo-Rodríguez AM, et al. MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools. Metabolites 9, E144 (2019). doi:10.3390/metabo9070144

Related tools

GNPSComplementary to · A web-based mass-spectrometry ecosystem for molecular networking, spectral-library search, repository-scale search, interactive visualization, knowledgebase curation, and public-data integration.MS2LDAComplementary to · Find recurring patterns of fragments and neutral losses across tandem mass spectra.

Entry history

Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.

  1. 2026-09-08 · Entry update

    Audit core publications across existing tools

    View change · Entry at this revision
  2. 2026-09-07 · First committed entry

    Add 50 documented metabolomics resources

    View change · Entry at this revision

Full GitHub history