Table 2. Performance of the mt-QSAR-EL Model.
| symbolsa | training set | test set |
|---|---|---|
| Nactive | 373 | 121 |
| CCactive | 312 | 104 |
| Sn(%) | 83.65 | 85.95 |
| Ninactive | 401 | 134 |
| CCinactive | 331 | 109 |
| Sp(%) | 82.54 | 81.34 |
| MCC | 0.662 | 0.672 |
a
Nactive: total number of active molecules; Ninactive: total number of inactive molecules; CCactive: molecules correctly classified as active; CCinactive: molecules correctly classified as inactive; Sn(%): sensitivity expressed as the percentage of molecules correctly classified as active; Sp(%): specificity expressed as the percentage of molecules correctly classified as inactive; MCC: Matthews correlation coefficient.