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ClassyFire has recently been migrated to a new server. We have made some fixes intended to improve stability, and other updates. Additional storage will allow many more compound classifications to be stored long-term.

Queries submitted from Oct 20, 2018 to Mar 28, 2019 will be unavailable and replaced with other queries using the same IDs (IDs 3335516 thru 3838765). Please re-run your queries.

Please let us know if you experience any issues.

ClassyFire is a web-based application for automated structural classification of chemical entities. This application uses a rule-based approach that relies on a comprehensible, comprehensive, and computable chemical taxonomy. ClassyFire provides a hierarchical chemical classification of chemical entities (mostly small molecules and short peptide sequences), as well as a structure-based textual description, based on a chemical taxonomy named ChemOnt, which covers 4825 chemical classes of organic and inorganic compounds. Moreover, ClassyFire allows for text-based search via its web interface. It can be accessed via the web interface or via the ClassyFire API.

ClassyFire is offered to the public as a freely acessible web server. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (ClassyFire) and the original publication (see below). We ask that users who download portions of the database, or use the service (via the server or the API), cite the ClassyFire paper in any resulting publications.

Please cite:

  1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
    DOI: 10.1186/s13321-016-0174-y

Chemical (Use this option when providing valid SMILES or InChIs as input)
Protein/DNA/RNA (Use this option when providing valid FASTA sequences as input)
IUPAC Name (Use this option when providing valid IUPAC names as input)

Provide one entry per line containing a SMILES or an InChI string, optionally preceded by an identifier. If added, the identifier MUST precede the structure representation. The line must be tab-separated.

Select a SDF or TSV file to upload. Maximum size: 3 MB.

Provide a name for the data sample. You can provide multiple tags separated by '|'.