Table 1.
Enrichment of actives over decoys by docking in previous30 and current study of these target/compound sets, as measured by the Area Under Curve (AUC) of the ROC curve (Receiver Operating Characteristic curve) and the enrichment factor of the top scoring 1% compounds. Note that these statistics are computed for the full set of compounds per target, while those in Fig. 1 are for the Tier 1 and Tier 2 subsets.
BACE1 | CDK2 | Thrombin | ||||
---|---|---|---|---|---|---|
Previous | Current | Previous | Current | Previous | Current | |
AUC of ROC curve | 0.66 | 0.85 | 0.79 | 0.87 | 0.81 | 0.82 |
1% Enrichment factor | 8 | 28 | 14 | 30 | 30 | 26 |