Journal of Cheminformatics· 2016Q1
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy
- 1,602citations
- Q1SCImago
- 2016year
Short summary
ClassyFire automatically classifies over 77 million chemical compounds into a computable taxonomy (ChemOnt) with >4800 categories, using only structural features.
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Computational Theory and MathematicsComputer Science