ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

20161,538 citationsJournal Articlegold Open Access

Authors

Yannick Djoumbou-Feunang · University of Alberta

Roman Eisner

Craig Knox · University of Alberta

Leonid Chepelev · University of Ottawa

Janna Hastings · European Bioinformatics Institute

Gareth Owen · European Bioinformatics Institute

Eoin Fahy · La Jolla Bioengineering Institute

Abstract

ClassyFire, in combination with ChemOnt (ClassyFire's comprehensive chemical taxonomy), now allows chemists and cheminformaticians to perform large-scale, rapid and automated chemical classification. Moreover, a freely accessible API allows easy access to more than 77 million "ClassyFire" classified compounds. The results can be used to help annotate well studied, as well as lesser-known compounds. In addition, these chemical classifications can be used as input for data integration, and many other cheminformatics-related tasks.

Topics & Keywords

Computational Drug Discovery Methods Biomedical Text Mining and Ontologies Semantic Web and Ontologies

Publication Details

Published in: Journal of Cheminformatics

Volume 8, Issue 1, pp. 61-61

DOI: 10.1186/s13321-016-0174-y

Field-Weighted Citation Impact: 35.18

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ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

Authors

Abstract

Topics & Keywords

Publication Details