Medical & Healthcare
Tooluniverse Natural Product Dereplication
Dereplicate a putative natural product and assign its chemical taxonomy. Use to answer "is [compound] a known natural product", "what microbe/organism produces [compound]", "what chemical class is [compound]", "dereplicate this metabolite (by formula/exact mass/InChIKey/SMILES)", or "classify this molecule into ChemOnt". Searches NPAtlas for known microbial natural products (producing organism + literature reference), assigns the ChemOnt kingdom→superclass→class→subclass hierarchy via ClassyFire, resolves systematic IUPAC names to structure via OPSIN, and cross-references identity in PubChem. NOT for general drug/compound identity or ADMET (use tooluniverse-chemical-compound-retrieval / tooluniverse-small-molecule-discovery) and NOT for metabolomics pathway/enrichment analysis (use tooluniverse-metabolomics skills).
- Publisher / source
- mims-harvard/ToolUniverse (found on GitHub top repositories)
- Upstream record
- mims-harvard/ToolUniverse
- Version
- Version 1
- Published
- Publication review
- Approved for publication · recorded passed scan 2026-11-10
- Content fingerprint
4f2def972362b13e24154499d7aaf0ddfb5af9929603e81c16a102bee5f967c4