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Table 5 The performance of six scoring functions on the DUD-E dataset

From: DLIGAND2: an improved knowledge-based energy function for protein–ligand interactions using the distance-scaled, finite, ideal-gas reference state

Scoring functions

LogAUC(%)

EF1%

EF5%

EF10%

DLIGAND2

10.14

6.67

3.31

2.55

AutoDock Vina

9.96

5.12

3.41

2.60

ΔvinaRF20

9.00

6.38

3.41

2.58

DLIGAND

7.61

4.40

2.74

2.23

X-ScoreHM

7.25

4.06

2.68

2.19

ID-Score

2.47

1.61

1.42

1.36

  1. The highest values in each column are labeled italics