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.

August 2019: We are migrating to an updated server with a local database cache. Speeds are still slower than they used to be, but the number of failed compounds should be minimal.

Error: {{inputError}}

Please enter one InChIKey per line

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
{{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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