Table 2

Receiver operating characteristic data obtained with no tether
Scoring Functions
 GOLDrank
 BestScorerank

% Actives
 % Actives

10
 20
 30
 50
 AUC
 10
 20
 30
 50
 AUC
GOLD
 28
 42
 55
 75
 .705
 25
 41
 57
 76
 .715
ChemScore
 19
 39
 53
 79
 .704
 21
 35
 58
 84
 .725
DOCK
 23
 37
 50
 73
 .678
 18
 32
 44
 70
 .654
PMF
 1
 8
 16
 41
 .419
 0
 0
 5
 27
 .364
BLEEP
 19
 35
 50
 69
 .633
 17
 33
 48
 76
 .666
Consensus
 24
 37
 52
 72
 .681
 21
 33
 51
 74
 .677
GOLD (normalised)
 27
 39
 51
 71
 .674
 25
 41
 54
 74
 .695
ChemScore (normalised)
 15
 29
 44
 67
 .635
 13
 30
 48
 77
 .677
DOCK (normalised)
 27
 41
 53
 77
 .710
 20
 33
 45
 70
 .653
PMF (normalised)
 0
 4
 11
 37
 .385
 0
 0
 4
 21
 .334
BLEEP (normalised)
 17
 29
 45
 64
 .610
 16
 29
 46
 71
 .648
Consensus (normalised)
 28
 43
 59
 78
 .732
 23
 36
 49
 75
 .682

Retrieval of actives without using a tether. Percentages of actives corresponding to the top 10%, 20%, 30% & 50% of the screened library. The normalised scores were obtained by dividing by the number of heavy atoms to the power of 1/3. AUC is the area under the ROC curve.

Konstantinou-Kirtay et al. BMC Bioinformatics 2007 8:27   doi:10.1186/1471-2105-8-27