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. 2011 Oct 22;51(11):2897–2903. doi: 10.1021/ci2003889

Table 1. Virtual screen AUC ROC values corresponding to nine protein targets and five distinct docking programs/scoring functions. a.

  NNScore 1.0 NNScore 2.0 AutoDockFast AutoDockRigorous Vina
AChE 0.55 0.57 0.48 0.53 0.67
COX-2 0.74 0.49 0.38 0.43 0.31
DHFR 0.72 0.83 0.83 0.95 0.76
EGFr 0.47 0.51 0.51 0.49 0.61
FGFr1 0.58 0.55 0.41 0.35 0.46
FXa 0.76 0.52 0.44 0.47 0.63
P38 0.75 0.58 0.40 0.37 0.54
PDGFrb 0.60 0.62 0.50 0.36 0.53
SRC 0.58 0.63 0.65 0.58 0.69
Average 0.64 0.59 0.51 0.50 0.58
a

Italic indicates ROC AUC less than 0.5. Bold indicates that the given docking program/scoring function is best suited to the corresponding receptor.