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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