Overview
MetDNA3 recursively annotates metabolites using interacting knowledge-driven and experimental-similarity network layers. Its public MrnAnnoAlgo3 repository contains the core annotation algorithm; the registered web service supplies the complete platform workflow.
What can this tool do?
Common uses
- Propagate metabolite annotations across related LC-MS features using complementary network layers.
Scientific fit
Primary function
Metabolite annotation and identification
Other functions
Molecular networking and chemical similarity
Analysis types
Untargeted metabolomics
Data compatibility
Inputs
Feature or peak table, Mass spectra
Outputs
Compound list or annotations, Statistical results
Input formats
MRN3 MS1 tables, matched MS2 lists and seed-annotation tables
Output formats
Network-propagated candidate annotations and confidence/redundancy results
Scope and considerations
Designed for
- A metabolite-annotation platform using knowledge-driven and data-driven two-layer networking with recursive annotation propagation for untargeted metabolomics.
Not designed for
- A claim that installing the core R repository reproduces every web-service module or experimentally confirms propagated candidates.
Important requirements
- For the core algorithm, prepared MS1 feature data, matching MS2 lists and seed tables in MRN3 format with suitable instrument/LC/polarity settings. The complete hosted route requires registration and its documented uploads.
Considerations
- Seed reliability, network coverage and acquisition compatibility influence propagation. The core function expects structured data rather than arbitrary raw files; evaluate confidence and alternative annotations.
Access and documentation
The core repository states CC-BY-NC-ND-4.0. Full web-service functionality and account access are distinct from the public core package; no open-source or unrestricted-reuse claim is made.
License: CC-BY-NC-ND-4.0
Evidence and review
Enveda intake rechecked against official repository documentation, package/license metadata and primary publication identity on 2026-10-27. Editorial source review only; no software execution or independent benchmark. See docs/enveda-expansion-review-2026-10-27-batch2.md.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- Knowledge and data-driven two-layer networking for accurate metabolite annotation in untargeted metabolomics. Nature Communications (2025). doi:10.1038/s41467-025-63536-6
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-10-27 · First committed entry
Add 24 reviewed Enveda tools in a separate second batch
View change · Entry at this revision