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Table 4 Experimental and predicted retention factors (k) of quinolone compounds in the training set, cross-validation, and test set prediction

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

Buffer

pH

Experimental k

Training set prediction

Residuals

Cross-Validation

CVLOO

Residuals

Lomefloxacin

6.5

0.920

1.175

0.255

1.247

0.327

Ciprofloxacin

6.5

1.153

1.164

0.011

1.262

0.109

Norfloxacin

3.5

1.162

1.255

0.093

1.342

0.18

Ofloxacin

3.5

1.176

1.261

0.085

1.385

0.209

Ciprofloxacin

3.5

1.363

1.330

−0.033

1.293

−0.07

Lomefloxacin

3.5

1.560

1.550

−0.01

1.401

−0.159

Gatifloxacin

6.5

1.566

1.555

−0.011

1.493

−0.073

Gemifloxacin

3.5

1.576

1.586

0.01

1.593

0.017

Gemifloxacin

6.5

1.584

1.575

−0.009

1.558

−0.026

Gatifloxacin

3.5

1.603

1.613

0.01

1.621

0.018

Moxifloxacin

3.5

1.606

1.616

0.01

1.638

0.032

Danofloxacin

8.2

1.668

1.659

−0.009

1.662

−0.006

Nadifloxacin

8.2

1.685

1.694

0.009

1.763

0.078

Moxifloxacin

6.5

1.749

1.739

−0.01

1.700

−0.049

Enrofloxacin

8.2

1.973

1.819

−0.154

1.773

−0.2

Nadifloxacin

3.5

2.148

1.828

−0.32

1.769

−0.379

Norfloxacin*

6.5

1.158

1.149

−0.009

  

Danofloxacin*

3.5

1.551

1.433

−0.118

  

Sparfloxacin*

3.5

1.576

1.563

−0.013

  

Enrofloxacin*

2.2

1.622

1.493

−0.129

  

Ofloxacin*

8.2

1.885

1.603

−0.282

  
  1. (*) Test set compound