Table 1.
Datasets (number of molecules) |
Leave one out ROC |
Leave out 50% × 100 External ROC Score |
Leave out 50% × 100Internal ROC Score |
Leave out 50% × 100 Concordance |
Leave out 50% × 100 Specificity |
Leave out 50% × 100 Sensitivity |
---|---|---|---|---|---|---|
IDRI % inhibition at 20uM (1106) |
0.82 | 0.77 ± 0.02 | 0.78 ± 0.02 | 73.4 ± 2.98 | 77.3 ± 6.28 | 63.4 ± 7.62 |