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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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