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Table 3 iFragMent performance (AUC) for compounds involved in a single pathway and those in multiple pathways

From: Predicting biological pathways of chemical compounds with a profile-inspired approach

Database AUC uni AUC multi Single pathway compounds Multi pathway compounds %multi path compounds AUC global
KEGG 0.95 0.82 4066 1170 23.2 0.88
enviPath 0.94 0.80 1254 91 12.1 0.90
Reactome 0.89 0.70 802 524 43.5 0.74
SMPDB 0.81 0.72 1062 346 35.9 0.74