Metabolite annotation and identification

MetaboAnnoate

MetaboAnnotate is an AI-powered system for metabolite annotation of MS/MS data. Agents (Supervisor, Planner, Executor, Evaluator) orchestrate workflows and call external tools. The goal of MetabAnnotate is to streamline complex annotation workflows in metabolomics using a modular AI-agent framework.

LC-MSWeb applicationOpen source

Editorial additions pending. This submission has been accepted into the catalogue. Detailed metadata and editorial review may follow in later updates. Missing information does not mean a capability is unsupported.

Overview

MetaboAnnotate is an AI-powered system for metabolite annotation of MS/MS data. Agents (Supervisor, Planner, Executor, Evaluator) orchestrate workflows and call external tools. The goal of MetabAnnotate is to streamline complex annotation workflows in metabolomics using a modular AI-agent framework.

Scientific fit

Primary function

Metabolite annotation and identification

Other functions

Machine learning and prediction

Access and documentation

Evidence and review

Core publications

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

  1. Primary publication doi:10.1021/acs.analchem.6c01717

Related tools

Entry history

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

Original submission and discussion

  1. 2026-09-18 · First committed entry

    Add draft tool entry for MetaboAnnoate

    View change · Entry at this revision

Full GitHub history