Table 4 The EF values and functional thresholds for the top 1, 5, 10 and 20Â % of the decoy database in individual docking function test
From: Virtual screening and experimental validation of novel histone deacetylase inhibitors
Docking functions | Top (%) | Functional thresholds | EF | ||
|---|---|---|---|---|---|
1T64 | 1T67 | 1T69 | |||
ChemPLP | 1 | 72.9 | 4.67 | 4.21 | 4.87 |
5 | 68.3 | 4.47 | 4.15 | 4.68 | |
10 | 62.8 | 4.31 | 4.09 | 4.52 | |
20 | 56.9 | 4.14 | 4.02 | 4.44 | |
Goldscore | 1 | 60.1 | 1.87 | 1.37 | 1.14 |
5 | 55.4 | 1.71 | 1.23 | 1.04 | |
10 | 50.1 | 1.68 | 1.19 | 0.98 | |
20 | 46.2 | 1.65 | 1.14 | 1.03 | |
Chemscore | 1 | 23.7 | 4.08 | 3.94 | 4.31 |
5 | 19.1 | 3.98 | 3.81 | 4.18 | |
10 | 15.1 | 3.94 | 3.78 | 4.15 | |
20 | 12.7 | 3.87 | 3.72 | 4.06 | |
ASP | 1 | 35.3 | 1.45 | 1.21 | 1.78 |
5 | 31.3 | 1.31 | 1.11 | 1.56 | |
10 | 28.4 | 1.29 | 1.03 | 1.38 | |
20 | 24.1 | 1.23 | 0.95 | 1.15 | |