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Table 8 Results of Stages 4 and 5 for \({\text {bl}}^*= 3\), \(d_\text {max}=3\) and \(\text {dia}^* = \lceil \frac{2}{5}n^* \rceil \)

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

11

3.1

511

\(3.6 \times 10^{3}\)

100

14.31

5

32

13

4.72

3510

\(6.8 \times 10^{6}\)

100

851.21

7

38

16

5.82

11,648

\(1.2 \times 10^{8}\)

100

612.86

8

44

18

9.69

17,239

\(2.2 \times 10^{8}\)

100

703.92

9

50

20

22.53

60,792

\(3.9 \times 10^{12}\)

100

762.17

Bp

440

26

11

3.01

66

\(9.0 \times 10^{2}\)

66

902.77

550

32

13

4.29

308

\(1.0 \times 10^{7}\)

100

2238.62

660

38

16

5.86

303

\(1.8 \times 10^{7}\)

100

3061.11

770

44

18

14.39

19,952

\(4.7 \times 10^{10}\)

100

678.26

880

50

20

10.39

17,993

\(7.1 \times 10^{12}\)

100

4151.07

Hc

13000

26

11

3.05

340

\(1.5 \times 10^{4}\)

100

1.57

16500

32

13

5.81

600

\(3.1 \times 10^{8}\)

100

921.55

20000

38

16

15.67

18,502

\(6.2 \times 10^{8}\)

100

1212.54

23000

44

18

21.15

5064

\(6.9 \times 10^{9}\)

100

1279.95

25000

50

20

31.90

41,291

\(2.4 \times 10^{12}\)

100

668.5