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Table 6 Results of Stages 4 and 5 for \({\text {bl}}^*= 2\), \(d_\text {max}=3\) 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

3.95

11,780

\(2.4 \times 10^{6}\)

100

0.91

5

32

13

4.81

216

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

100

10.64

7

38

16

7.27

19,931

\(4.2 \times 10^{7}\)

100

48.29

8

44

18

9.33

241,956

\(1.2 \times 10^{13}\)

100

119.01

9

50

20

21.57

58,365

\(1.7 \times 10^{10}\)

100

110.38

Bp

440

26

11

2.09

22,342

\(3.6 \times 10^{7}\)

100

2.9

550

32

13

3.94

748

\(5.9 \times 10^{6}\)

100

3.77

660

38

16

6.4

39,228

\(7.3 \times 10^{8}\)

100

151.25

770

44

18

7.21

138,076

\(3.0 \times 10^{12}\)

100

182.66

880

50

20

9.49

106,394

\(3.0 \times 10^{10}\)

100

217.18

Hc

13000

26

11

2.94

12

\(2.0 \times 10^{1}\)

12

0.04

16500

32

13

7.67

2722

\(1.2 \times 10^{7}\)

100

0.31

20000

38

16

10.5

1830

\(9.7 \times 10^{5}\)

100

1.06

23000

44

18

13.62

12,336

\(4.7 \times 10^{8}\)

100

142.02

25000

50

20

15.1

136,702

\(5.3 \times 10^{14}\)

100

22.26