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Table 7 Results of Stages 4 and 5 for \({\text {bl}}^*= 2\), \(d_\text {max}=4\) and \(\text {dia}^* = \lceil \frac{3}{5}n^* \rceil \)

From: A novel method for inference of acyclic chemical compounds with bounded branch-height based on artificial neural networks and integer programming

\(\pi \)

\(y^*\)

\(n^*\)

\(\text {dia}^*\)

IP-time

\(\#\)FP

G-LB

\(\#\)G

G-time

Kow

4

26

16

16.21

4198

\(3.5 \times 10^{5}\)

100

1.18

5

32

20

24.74

1650

\(5.3 \times 10^{6}\)

100

0.69

7

38

23

38.88

154,408

\(9.5 \times 10^{9}\)

100

67.31

8

44

27

38.73

1,122,126

\(8.5 \times 10^{13}\)

100

660.37

9

50

30

31.59

690,814

\(1.1 \times 10^{15}\)

100

238.02

Bp

440

26

16

12.44

8156

\(2.6 \times 10^{6}\)

100

2.74

550

32

20

23.22

38,600

\(4.4 \times 10^{8}\)

100

12.72

660

38

23

20.62

52,406

\(1.1 \times 10^{9}\)

100

197.89

770

44

27

50.55

23,638

\(6.8 \times 10^{8}\)

100

244.56

880

50

30

48.37

40,382

\(2.2 \times 10^{11}\)

100

884.99

Hc

13000

26

16

23.26

249

\(2.7 \times 10^{3}\)

100

0.06

16500

32

20

44.2

448

\(6.9 \times 10^{4}\)

100

0.63

20000

38

23

96.02

3330

\(6.1 \times 10^{6}\)

100

15.16

23000

44

27

82.34

43,686

\(1.5 \times 10^{10}\)

100

152.96

25000

50

30

83.81

311,166

\(1.3 \times 10^{13}\)

100

287.95