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Table 9 Results of Stages 4 and 5 for \({\text {bl}}^*= 3\), \(d_\text {max}=4\) 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

9.94

100

\(2.5 \times 10^{4}\)

100

6.73

5

32

20

16.58

348

\(1.4 \times 10^{8}\)

100

3400.74

7

38

23

33.71

17,557

\(1.2 \times 10^{11}\)

100

2652.38

8

44

27

34.28

0

0

1

>2 hours

9

50

30

68.74

80,411

\(6.4 \times 10^{15}\)

100

6423.85

Bp

440

26

16

14.16

150

\(1.8 \times 10^{5}\)

100

29.72

550

32

20

18.94

305

\(1.4 \times 10^{7}\)

100

2641.9

660

38

23

21.15

1155

\(2.0 \times 10^{9}\)

100

4521.66

770

44

27

25.6

1620

\(4.3 \times 10^{8}\)

100

175.2

880

50

30

63.22

0

0

1

>2 hours

Hc

13000

26

16

31.87

12

\(2.7 \times 10^{4}\)

12

0.66

16500

32

20

41.03

392

\(3.4 \times 10^{8}\)

100

2480.34

20000

38

23

48.48

630

\(1.4 \times 10^{5}\)

100

105.59

23000

44

27

143.75

341

\(7.8 \times 10^{8}\)

100

5269.1

25000

50

30

315.91

10,195

\(3.8 \times 10^{9}\)

100

5697.08