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Table 2 ROC curve results for the scoring functions

From: Docking-based virtual screening of TβR1 inhibitors: evaluation of pose prediction and scoring functions

Scoring function AUC Youden’s index
AUC 95% CI P Youden index J Score SE SP
Ludi 1 0.864 0.856 to 0.871 < 0.0001 0.5901 > 613 78.45 80.57
PMF 0.856 0.849 to 0.864 < 0.0001 0.5918 > 80.81 78.80 80.38
Ludi 2 0.842 0.834 to 0.849 < 0.0001 0.5465 > 498 85.51 69.14
Ludi 3 0.812 0.803 to 0.820 < 0.0001 0.5196 > 490 76.68 75.29
PMF04 0.776 0.767 to 0.784 < 0.0001 0.4587 > 43.26 67.49 78.38
PLP1 0.774 0.765 to 0.782 < 0.0001 0.4087 > 88.82 87.63 53.24
PLP2 0.769 0.760 to 0.777 < 0.0001 0.4008 > 89.49 65.02 75.07
LigScore2 0.762 0.753 to 0.771 < 0.0001 0.3719 > 6.22 60.07 77.12
Jain 0.697 0.687 to 0.706 < 0.0001 0.3283 > 4.13 84.45 48.38
LigScore1 0.660 0.650 to 0.669 < 0.0001 0.2380 > 3.86 55.83 67.97
  1. AUC area under the curve, 95% CI asymptotic 95% confidence interval, P significance level P (area = 0.5), SE sensitivity, SP specificity
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BMC Chemistry

ISSN: 2661-801X

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