Table 2 Quality criteria and statistical criteria for all the QSPR models analyzed in the present study and focused on phenols

HF/STO-3G

MPA

-

3d QM

0.9515

0.490

0.388

0.504

458

-

5d QM

0.9657

0.412

0.310

0.430

358

Svob2007_cbeg2

3d EEM

0.8671

0.812

0.571

0.835

152

3d EEM WO

0.9239

0.482

0.382

0.497

255

5d EEM

0.9179

0.638

0.481

0.666

152

Svob2007_cmet2

3d EEM

0.8663

0.814

0.577

0.837

151

3d EEM WO

0.9239

0.482

0.386

0.497

255

5d EEM

0.9189

0.634

0.476

0.661

154

Svob2007_chal2

3d EEM

0.8737

0.792

0.554

0.814

161

3d EEM WO

0.9127

0.483

0.387

0.498

220

5d EEM

0.9203

0.629

0.473

0.656

157

Svob2007_hm2

3d EEM

0.8671

0.812

0.578

0.835

152

3d EEM WO

0.9241

0.481

0.387

0.496

256

5d EEM

0.9179

0.638

0.478

0.666

152

Baek1991

3d EEM

0.9099

0.669

0.531

0.688

236

3d EEM WO

0.9166

0.531

0.423

0.548

231

5d EEM

0.9195

0.632

0.493

0.659

155

Mort1986

3d EEM

0.8860

0.752

0.577

0.773

181

3d EEM WO

0.9151

0.520

0.405

0.536

226

5d EEM

0.9142

0.652

0.524

0.680

145

HF/6–31G*

MK

-

3d QM

0.8405

0.890

0.727

0.915

123

-

5d QM

0.8865

0.750

0.641

0.782

106

Jir2008_hf

3d EEM

0.8612

0.830

0.582

0.853

145

3d EEM WO

0.9182

0.500

0.394

0.516

236

5d EEM

0.9154

0.648

0.488

0.676

147

B3LYP/6–31G*

MPA

-

3d QM

0.9671

0.404

0.317

0.415

686

-

5d QM

0.9724

0.370

0.274

0.386

479

Chaves2006

3d EEM

0.891

0.735

0.570

0.756

191

3d EEM WO

0.9198

0.505

0.398

0.521

241

5d EEM

0.9192

0.633

0.489

0.660

155

Bult2002_mul

3d EEM

0.8876

0.747

0.589

0.768

184

3d EEM WO

0.9151

0.520

0.416

0.536

226

5d EEM

0.9158

0.646

0.504

0.674

148

B3LYP/6–31G*

NPA

-

3d QM

0.9590

0.451

0.349

0.464

546

-

5d QM

0.9680

0.399

0.295

0.416

411

Ouy2009

3d EEM

0.8731

0.793

0.541

0.815

161

3d EEM WO

0.9043

0.505

0.379

0.521

198

5d EEM

0.9094

0.670

0.503

0.699

137

Ouy2009_elem

3d EEM

0.8727

0.795

0.546

0.817

160

3d EEM WO

0.9113

0.487

0.382

0.502

216

5d EEM

0.9132

0.656

0.495

0.684

143

Ouy2009_elemF

3d EEM

0.8848

0.756

0.519

0.777

179

3d EEM WO

0.9012

0.512

0.386

0.528

192

5d EEM

0.8866

0.750

0.520

0.782

106

Bult2002_npa

3d EEM

0.9044

0.689

0.532

0.708

221

3d EEM WO

0.9098

0.523

0.405

0.539

212

5d EEM

0.9180

0.638

0.488

0.666

152

Hir.

-

3d QM

0.9042

0.689

0.503

0.708

220

-

5d QM

0.9477

0.509

0.356

0.531

246

Bult2002_hir

3d EEM

0.8415

0.887

0.636

0.912

124

3d EEM WO

0.8838

0.579

0.414

0.597

160

5d EEM

0.9050

0.687

0.522

0.717

130

MK

-

3d QM

0.8447

0.878

0.705

0.903

127

-

5d QM

0.8960

0.718

0.594

0.749

117

Jir2008_dft

3d EEM

0.8696

0.804

0.555

0.827

156

3d EEM WO

0.9224

0.487

0.371

0.502

250

5d EEM

0.9148

0.650

0.489

0.678

146

Bult2002_mk

3d EEM

0.8639

0.822

0.610

0.845

148

3d EEM WO

0.9053

0.519

0.384

0.535

201

5d EEM

0.9131

0.657

0.508

0.685

143

Chel.

-

3d QM

0.8528

0.854

0.712

0.878

135

-

5d QM

0.9087

0.673

0.552

0.702

135

Bult2002_che

3d EEM

0.8695

0.805

0.597

0.828

155

3d EEM WO

0.8863

0.588

0.436

0.606

164

5d EEM

0.9057

0.684

0.540

0.714

131

AIM

-

3d QM

0.9609

0.440

0.332

0.452

573

-

5d QM

0.9677

0.400

0.285

0.417

407

Bult2004_aim

3d EEM

0.8646

0.819

0.619

0.842

149

3d EEM WO

0.8972

0.590

0.438

0.608

183

5d EEM

0.9017

0.698

0.571

0.728

125