Skip to main content

Table 4 The EF values and functional thresholds for the top 1, 5, 10 and 20 % 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