From: Designing of inhibitors against drug tolerant Mycobacterium tuberculosis (H37Rv)
Fingerprint | MCC-based descriptors | Frequency based descriptors | Hybrid (MCC + Frequency) | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
 | Sen.a | Spec.b | Acc.# | MCC! | AUC!! | Sen.a | Spec.b | Acc.# | MCC! | AUC!! | Sen.a | Spec.b | Acc.# | MCC! | AUC!! |
PubChem | 59.37 | 58.45 | 58.97 | 0.18 | 0.67 | 60.03 | 41.01 | 51.76 | 0.01 | 0.51 | 59.62 | 58.45 | 59.11 | 0.18 | 0.62 |
MACCS | 59.95 | 50.91 | 56.02 | 0.11 | 0.56 | 56.80 | 52.85 | 55.08 | 0.10 | 0.57 | 61.86 | 53.39 | 58.17 | 0.15 | 0.59 |
EState | 56.97 | 55.76 | 56.44 | 0.13 | 0.59 | 55.80 | 54.47 | 55.22 | 0.10 | 0.58 | 59.54 | 53.07 | 56.72 | 0.13 | 0.59 |
SubFP | 51.99 | 59.96 | 55.46 | 0.12 | 0.59 | 59.54 | 41.55 | 51.71 | 0.01 | 0.51 | 52.99 | 57.37 | 54.89 | 0.10 | 0.57 |
Hybrid-4 | 59.45 | 62.65 | 60.84 | 0.22 | 0.65 | 61.28 | 57.05 | 59.44 | 0.18 | 0.60 | N.A | N.A | N.A | N.A | N.A |