Batch Compound Classification

ClassyFire1 is a web-based application developed by the Wishart Research Group for automated structural classification of chemical entities. ClassyFire batch is an independent tool that retrieves and formats ClassyFire results for a list of InChIKey identifiers.

If you encounter any bugs or problems, please let us know using our issue tracker.


Error: {{inputError}}

Please enter one InChIKey per line



Changelog:

v1.1 (2018-04-02)
  • Bug fixes and minor improvements to the UI
  • Look up non-stereo form of the InChIKey if provided version fails
v1.0 (2017-03-06)
  • Inital release

1. Djoumbou 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

{{processedCompounds + errorCompounds}}/{{totalCompounds}} compounds
Please be patient while you job is processing - requests are delayed in order to avoid excessive load on the ClassyFire servers
InChIKeyStatusKingdomSuperclassClassSubclass{{name}}
{{x.inchikey}}{{x.status}}{{x.kingdom}}{{x.superclass}}{{x.class}}{{x.subclass}}{{$index < x.parents.length ? x.parents[$index] : ' '}}
Failed classifications occur when ClassyFire does not contain the given InChIKey in its database. If all results fail, this could be due to network issues - in this case, please try again later.
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