Table 2 Global performance (AUC for iFragMent and k-NN) for specific pathways within general KEGG pathway classes
From: Predicting biological pathways of chemical compounds with a profile-inspired approach
Pathway Class | iFragMent AUC | k-NN AUC | Num. pathways |
|---|---|---|---|
Drug Development | 1.00 | 0.45 | 1 |
Genetic Information Processing | 0.94 | 0.55 | 2 |
Metabolism | 0.91 | 0.51 | 153 |
Human Diseases | 0.82 | 0.52 | 10 |
Environmental Information Processing | 0.74 | 0.52 | 12 |
Organismal Systems | 0.70 | 0.50 | 32 |
Cellular Processes | 0.69 | 0.47 | 4 |