Additional file 2.
Chemical entities to train and assess definitions for each class. This file contains the complete collection of chemical entities collected by human curators to compute chemical class definitions as described (see Methods). The names for each class as used in this work are also reported, along with the class ID for the ChEBI classes.
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Chepelev et al. BMC Bioinformatics 2012 13:3 doi:10.1186/1471-2105-13-3