Table 4 Identified suspected data and outliers for the proposed CatBoost model using the leverage technique.

From: Predictive modeling of CO2 solubility in piperazine aqueous solutions using boosting algorithms for carbon capture goals

No.

Temperature (K)

PZ concentration (M)

CO2 partial pressure (kPa)

Exp. CO2 loading (mol CO2/ mol PZ)

Pred. CO2 loading (mol CO2/ mol PZ)

H

SR

Status

Ref.

1

298

0.2

817.3

2.392

2.216

0.00303

-5.828

Suspected

47

2

298

0.2

1171

2.75

2.619

0.00374

-4.336

Suspected

47

3

328

0.4

385.3

1.191

1.091

0.00308

-3.314

Suspected

47

4

298

0.2

76.51

1.185

1.281

0.00317

3.177

Suspected

47

5

328

0.2

550.7

1.463

1.579

0.00347

3.831

Suspected

47

6

308

0.2

238.5

1.275

1.410

0.00318

4.492

Suspected

47

7

303.15

0.1

0.924

1.285

1.428

0.00367

4.730

Suspected

53

8

313

0.3

1108

1.49

1.594

0.00363

3.437

Suspected

52

9

313

0.3

6489

2.77

2.756

0.07375

-0.448

Outlier

52

10

343

0.3

5745

2.06

2.000

0.05682

-1.937

Outlier

52

11

313

0.3

5421

2.61

2.572

0.05070

-1.236

Outlier

52

12

343

0.3

5214

1.99

2.000

0.04647

0.323

Outlier

52

13

313

0.3

4536

2.43

2.432

0.03503

0.077

Outlier

52

14

343

0.3

4285

1.86

1.840

0.03105

-0.652

Outlier

52

15

343

1.2

7399

1.8

1.798

0.09663

-0.070

Outlier

52

16

313

1.2

6150

2.03

2.048

0.06629

0.574

Outlier

52

17

343

1.2

6150

1.7

1.662

0.06557

-1.204

Outlier

52

18

313

1.2

5149

1.94

1.956

0.04565

0.527

Outlier

52

19

343

1.2

5174

1.59

1.620

0.04560

0.963

Outlier

52

20

343

1.2

4314

1.51

1.543

0.03113

1.088

Outlier

52

21

313

1.2

4265

1.83

1.799

0.03074

-1.030

Outlier

52

22

333.15

6.2

0.331

0.462

0.455

0.02420

-0.235

Outlier

49

23

333.15

6.2

1.865

0.578

0.602

0.02420

0.791

Outlier

49

24

333.15

6.2

6.791

0.708

0.698

0.02419

-0.332

Outlier

49

25

353.15

6.2

2.115

0.444

0.463

0.02370

0.612

Outlier

50

26

353.15

6.2

9.141

0.58

0.571

0.02369

-0.295

Outlier

50

27

373.15

6.2

7.871

0.444

0.462

0.02322

0.603

Outlier

50

28

373.15

6.2

33.652

0.58

0.582

0.02320

0.070

Outlier

50