From: MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids
Method | Sample | # Cmpds | # Correctly Identified (TP) | FN | FP | Precision (%) | Recall (%) | F score |
---|---|---|---|---|---|---|---|---|
MetaboMiner-sp | A | 27 | 23 | 4 | 4 | 85.2 | 85.2 | 85.2 |
MetaboMiner-all | A | 27 | 21 | 6 | 6 | 77.8 | 77.8 | 77.8 |
HMDB | A | 27 | 2 | 25 | 25 | 7.4 | 7.4 | 7.4 |
MMCD | A | 27 | 1 | 26 | 26 | 3.7 | 3.7 | 3.7 |
MetaboMiner-sp | B | 21 | 16 | 5 | 5 | 76.2 | 76.2 | 76.2 |
MetaboMiner-all | B | 21 | 12 | 9 | 2 | 85.7 | 57.1 | 68.5 |
HMDB | B | 21 | 2 | 19 | 19 | 9.5 | 9.5 | 9.5 |
MMCD | B | 21 | 2 | 19 | 19 | 9.5 | 9.5 | 9.5 |
MetaboMiner-sp | C | 24 | 17 | 7 | 7 | 70.8 | 70.8 | 70.8 |
MetaboMiner-all | C | 24 | 15 | 9 | 8 | 65.2 | 62.5 | 63.8 |
HMDB | C | 24 | 4 | 20 | 20 | 16.7 | 16.7 | 16.7 |
MMCD | C | 24 | 2 | 22 | 22 | 8.3 | 8.3 | 8.3 |
MetaboMiner-sp | D | 35 | 30 | 5 | 5 | 85.7 | 85.7 | 85.7 |
MetaboMiner-all | D | 35 | 23 | 12 | 12 | 65.7 | 65.7 | 65.7 |
HMDB | D | 35 | 3 | 32 | 32 | 8.6 | 8.6 | 8.6 |
MMCD | D | 35 | 2 | 33 | 33 | 5.7 | 5.7 | 5.7 |