Skip to main content

Table 7 Experimental and predicted retention factors (k) of sulfonamide compounds in the training set, cross-validation, and test set

From: QSRR modeling of the chromatographic retention behavior of some quinolone and sulfonamide antibacterial agents using firefly algorithm coupled to support vector machine

Compound name

Acetonitrile %

Experimental k

Training set prediction

Residuals of

Training set

Cross-Validation

CVL10%O

Residuals of

Cross-Validation

Sulfacetamide Na

50%

0.154

0.153

−0.001

0.151

−0.002

Sulfacetamide Na

45%

0.203

0.194

−0.009

0.171

−0.032

Sulfacetamide Na

30%

0.393

0.385

−0.008

0.336

−0.057

Sulfaguanidine

50%

0.170

0.178

0.009

0.212

0.042

Sulfaguanidine

45%

0.188

0.181

−0.006

0.182

−0.006

Sulfaguanidine

30%

0.256

0.267

0.011

0.458

0.202

Sulfadiazine

50%

0.174

0.185

0.011

0.193

0.019

Sulfadiazine

45%

0.228

0.237

0.010

0.236

0.008

Sulfadiazine

30%

0.443

0.454

0.011

0.520

0.078

Sulfaclozine

50%

0.549

0.528

−0.021

0.460

−0.088

Sulfaclozine

45%

0.752

0.701

−0.051

0.657

−0.095

Sulfaclozine

30%

2.196

1.310

−0.886

1.082

−1.114

Sulfadimethoxine

50%

0.419

0.429

0.010

0.427

0.008

Sulfadimethoxine

45%

0.567

0.576

0.009

0.602

0.035

Sulfadimethoxine

30%

1.433

1.278

−0.155

1.006

−0.427

Sulfadimidine

50%

0.311

0.299

−0.012

0.289

−0.022

Sulfadimidine

45%

0.389

0.378

−0.010

0.352

−0.037

Sulfadimidine

30%

0.730

0.643

−0.087

0.555

−0.175

Sulfadoxine

50%

0.395

0.405

0.010

0.419

0.024

Sulfadoxine

45%

0.524

0.540

0.017

0.569

0.046

Sulfadoxine

30%

1.276

1.211

−0.065

0.962

−0.314

Sulfathiazole

50%

0.166

0.224

0.058

0.242

0.076

Sulfathiazole

45%

0.221

0.285

0.064

0.289

0.068

Sulfathiazole

30%

0.426

0.521

0.095

0.574

0.148

Sulfachloropyrazine Na

50%

0.546

0.568

0.022

0.623

0.078

Sulfachloropyrazine Na

45%

0.754

0.742

−0.012

0.698

−0.056

Sulfachloropyrazine Na

30%

2.177

1.233

−0.944

0.937

−1.240

Sulfanilamide

50%

0.154

0.165

0.011

0.231

0.078

Sulfanilamide

45%

0.194

0.183

−0.010

0.167

−0.026

Sulfanilamide

30%

0.295

0.307

0.012

0.409

0.114

Sulfacetamide Na

50%

0.154

0.153

−0.001

0.151

−0.002

Sulfacetamide Na

45%

0.203

0.194

−0.009

0.171

−0.032

Sulfacetamide Na

30%

0.393

0.385

−0.008

0.336

−0.057

Sulfaguanidine

50%

0.170

0.178

0.009

0.212

0.042

Sulfaguanidine

45%

0.188

0.181

−0.006

0.182

−0.006

Sulfaguanidine

30%

0.256

0.267

0.011

0.458

0.202

Sulfadiazine

50%

0.174

0.185

0.011

0.193

0.019

Sulfadiazine

45%

0.228

0.237

0.010

0.236

0.008

Sulfadiazine

30%

0.443

0.454

0.011

0.520

0.078

Sulfaclozine

50%

0.549

0.528

−0.021

0.460

−0.088

Sulfaclozine

45%

0.752

0.701

−0.051

0.657

−0.095

Sulfaclozine

30%

2.196

1.310

−0.886

1.082

−1.114

Sulfadimethoxine

50%

0.419

0.429

0.010

0.427

0.008

Sulfadimethoxine

45%

0.567

0.576

0.009

0.602

0.035

Sulfadimethoxine

30%

1.433

1.278

−0.155

1.006

−0.427

Sulfamethoxazole*

50%

0.421

0.248

   

Sulfamethoxazole*

45%

0.568

0.322

   

Sulfamethoxazole*

30%

1.548

0.644

   

Sulfapyridine*

50%

0.306

0.283

   

Sulfapyridine*

45%

0.359

0.306

   

Sulfapyridine*

30%

0.597

0.443

   

Sulfaquinoxaline*

50%

0.519

0.530

   

Sulfaquinoxaline*

45%

0.716

0.719

   

Sulfaquinoxaline*

30%

2.221

1.279

   
  1. -Test set compound (*)