Table 3 Experimental and predicted activities for the compounds with residual

1

6.058

5.941

0.117

2

5.142

5.168

− 0.030

3

5.581

5.559

0.023

4

6.466

6.416

0.050

5^a

6.355

5.488

− 0.870

6

5.444

5.420

0.024

7^a

5.141

5.009

− 0.130

8^a

5.200

4.894

− 0.310

9

5.719

5.708

0.011

10

5.834

5.785

0.049

11^a

6.580

6.456

− 0.120

12

5.924

5.978

− 0.050

13

5.271

5.235

0.036

14

5.917

5.895

0.022

15^a

5.012

5.325

0.313

16

5.205

5.276

− 0.070

17

5.729

5.786

− 0.060

18^a

6.323

6.150

− 0.170

19

6.085

6.174

− 0.090

20

6.263

6.306

− 0.040

21^a

6.376

5.933

− 0.440

22

6.095

6.091

0.004

23

5.233

5.227

0.006