Molecular networking and chemical similarity

SpecReBoot

SpecReBoot brings the statistical rigor of phylogenetic bootstrapping to mass spectrometry. It resamples spectral features to estimate edge support and build consensus molecular networks with quantified confidence.

Platform-independentPython packageOpen 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

SpecReBoot brings the statistical rigor of phylogenetic bootstrapping to mass spectrometry. It resamples spectral features to estimate edge support and build consensus molecular networks with quantified confidence.

Scientific fit

Primary function

Molecular networking and chemical similarity

Other functions

Spectral processing and comparison, Reference data and database search

Access and documentation

Evidence and review

Status: in active development Feedback, ideas, issues, and PRs are very welcome!

Core publications

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

  1. Primary publication doi:10.64898/2026.02.03.703446

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. 2026-09-28 · First committed entry

    Add SpecReBoot community submission (#64)

    View change · Entry at this revision

Full GitHub history