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Table 8 Residual values for both training and test dataset

From: Computational evaluation of some compounds as potential anti-breast cancer agents

Datasets

pGI50

Predicted pGI50

Residuals

*C1

1.6253

1.2498

0.3755

C2

1.5670

1.5673

 − 0.0003

C3

2.5229

2.4293

0.0936

C4

1.3778

1.4520

 − 0.0742

C5

1.2899

1.3575

 − 0.0676

*C6

1.3546

1.5116

 − 0.1570

C7

1.3188

1.3985

 − 0.0797

*C8

1.3788

1.3171

0.0617

*C9

4.0000

3.3794

0.6206

C10

4.0458

4.0494

 − 0.0037

C11

1.4214

1.5261

 − 0.1047

C12

1.4056

1.3025

0.1031

C13

1.3947

1.3116

0.0831

C14

1.4802

1.4158

0.0644

C15

1.5376

1.4644

0.0732

C16

1.4450

1.4122

0.0328

C17

1.3546

1.3360

0.0186

*C18

1.4572

1.4106

0.0466

C19

1.4353

1.3687

0.0666

C20

1.3851

1.4706

 − 0.0855

C21

1.3696

1.2988

0.0708

C22

1.4067

1.5193

 − 0.1126

C23

1.3449

1.2428

0.1021

C24

1.4157

1.4835

0.06783

*C25

1.6635

1.8581

 − 0.1946

*C26

1.6737

1.5049

0.1688

*C27

1.7904

1.2847

0.5057

*C28

1.5988

1.3909

0.2079

*C29

1.7011

1.0303

0.6708

*C30

1.6946

1.1253

0.5693

C31

1.3862

1.4618

 − 0.0756

C32

1.4012

1.4220

 − 0.0208

C33

2.5086

2.4212

0.0874

C34

2.2076

2.3106

 − 0.1030

  1. NB: *C → Test set compounds