Table 2. Performance of GLORYx on Predicting Phase 1 Metabolites.
GLORYx using reaction rules from both SyGMa and GLORY | GLORYx using reaction rules from SyGMa only | |
---|---|---|
recall | 0.84 | 0.72 |
precision | 0.060 | 0.12 |
total number of predictions | 24,906 | 10,550 |
number of true positive predictions | 1487 | 1262 |
AUC (rank-based) | 0.80 | 0.73 |