Skip to main content
. 2022 Aug 10;12:13640. doi: 10.1038/s41598-022-17480-w

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 20,000 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
HHS Vulnerability Disclosure