Table 4 The pGI₅₀, predicted pGI₅₀, and the residual values for the studied molecules

1ⁿ

7.6383

8.0744

0.4362

2

7.398

7.2607

0.1373

3

7.3665

7.1608

0.2058

4

7.8239

7.9458

− 0.1219

5

7.6021

7.5017

0.1003

6

7.3872

7.4848

− 0.0976

7

7.1135

7.2791

− 0.1656

8 ⁿ

5.9208

6.0323

0.1115

9

6.6198

6.5679

0.0518

10

5.1487

5.2937

− 0.1449

11

6.5229

6.5563

− 0.0334

12

7.5686

6.9651

0.6035

13

7.3665

7.6696

− 0.3031

14

6.7212

6.9231

− 0.2018

15

6.5850

6.5074

0.0776

16

7.0000

6.8746

0.1254

17

6.8861

6.6254

0.2606

18

6.6576

6.9125

− 0.2549

19 ⁿ

6.0223

6.2074

0.1851

20

5.7447

6.1388

− 0.3941

21

7.5086

7.4315

0.0772

22

7.5850

7.2457

0.3393

23

6.6576

6.5749

0.0826

24

6.1079

5.8741

0.2338

25

6.0506

6.3517

− 0.3011

26

7.3872

7.2227

0.1645

27

7.3010

7.4012

− 0.1001

28 ⁿ

7.1024

7.2748

0.1724

29

6.6021

6.7544

− 0.1523

30

6.6778

7.0444

− 0.3666

31

6.3566

6.3405

0.0161

32

6.3665

6.2983

0.0682

33

5.9208

6.0691

− 0.1482

34 ⁿ

6.6989

6.0783

− 0.6207

35

6.1549

5.9133

0.2416