Skip to main content

Table 6 Experimental, predicted and residual values of phthalazinone derivatives

From: Molecular docking and QSAR theoretical model for prediction of phthalazinone derivatives as new class of potent dengue virus inhibitors

S/N

Experimental activity

Predicted activity

Residual

1*

6.19382

4.203771

1.990049

2

6.207608

5.984294

0.223314

3

5.548214

5.420270

0.127944

4

5.896196

5.836166

0.060030

5*

5.872895

5.171202

0.701693

6

4.699839

4.667067

0.032772

7

6.000000

5.981356

0.018644

8

5.978811

5.981260

− 0.002449

9

5.361511

5.503827

− 0.142316

10

5.853872

5.861122

− 0.007250

11

4.640354

4.848607

− 0.208252

12

5.205512

5.208835

− 0.003323

13

5.185087

5.044666

0.140421

14

5.571865

5.539619

0.032246

15

5.712198

5.856986

− 0.144788

16

6.154902

6.057303

0.097599

17

5.832683

5.927983

− 0.095300

18

5.821023

5.851128

− 0.030105

19

6.522879

6.522358

0.0005210

20

5.764472

5.987768

− 0.223296

21

6.886057

6.868233

0.017824

22*

5.879426

6.126705

0.247279

23*

5.853872

6.770595

0.916723

24

5.258061

5.152296

0.105765

25*

5.701147

6.521113

0.819966

  1. Asterisk represents the test set