Table 1 Experimental logP_o/w, Predicted logP_o/w and Residuals values for train and test set of Aromatic Drugs for MLR model.

1

2-Aminobenzoic acid

1.26

1.1309

0.1291

2

3,5-Dichlorophenol

3.63

3.6918

−0.0618

3

3-Aminobenzoic acid

0.34

0.399

−0.059

4

3-Bromoquinoline

2.91

2.8631

0.0469

5

4-Aminobenzoic acid

0.86

0.5373

0.3227

6

4-Butoxyphenol

2.87

2.7491

0.1209

7

4-Chlorophenol

2.45

2.488

−0.038

8

4-Ethoxyphenol

1.81

1.942

−0.132

9

4-Iodophenol

2.9

2.7765

0.1235

10

4-Methoxyphenol

1.41

1.3653

0.0447

11

4-Pentoxyphenol

3.26

3.1021

0.1579

12

4-Phenylbutylamine

2.39

2.3327

0.0573

13

4-Propoxyphenol

2.31

2.8643

−0.5543

14

5-Phenylvaleric acid

2.92

2.6447

0.2753

15

Acebutolol

2.02

1.8328

0.1872

16

Acetaminophen

0.34

0.6683

−0.3283

17

Acetophenone

1.58

1.4477

0.1323

18

Acetylsalicylic acid

0.9

0.9666

−0.0666

19

Alprazolam

2.61

3.0152

−0.4052

20

Alprenolol

2.99

2.5599

0.4301

21

Aminopyrine

0.85

1.0384

−0.1884

22

Amitriptyline

4.62

4.9183

−0.2983

23

Amlodipine

3.74

3.3935

0.3465

24

Ampicillin

−2.17

−2.0385

−0.1315

25

Atenolol

0.22

0.1532

0.0668

26

Atropine

1.89

1.4201

0.4699

27

Benzoic acid

1.96

2.1432

−0.1832

28

Bifonazole

4.77

4.9596

−0.1896

29

Bisoprolol

2.15

2.0414

0.1086

30

Bromazepam

1.65

2.2939

−0.6439

31

Bumetanide

4.06

4.5235

−0.4635

32

Bupropion

3.21

3.436

−0.226

33

Carazolol

3.73

3.6693

0.0607

34

Carbamazepine

2.45

3.0449

−0.5949

35

Cefadroxil

−0.09

−0.3343

0.2443

36

Cefalexin

0.65

0.5127

0.1373

37

Celiprolol

1.92

2.0377

−0.1177

38

Chlorambucil

3.7

3.2156

0.4844

39

Chloramphenicol

1.14

0.8834

0.2566

40

Chlorothiazide

−0.24

−0.0353

−0.2047

41

Chlorpheniramine

3.39

3.9023

−0.5123

42

Chlorpromazine

5.4

5.4701

−0.0701

43

Chlorprothixene

6.03

5.3408

0.6892

44

Chlorsulfuron

1.79

1.4552

0.3348

45

Chlortalidone

−0.74

−0.1934

−0.5466

46

Ciprofloxacin

−1.08

−1.5556

0.4756

47

Clofibrate

3.65

3.5281

0.1219

48

Clonazepam

3.02

2.8587

0.1613

49

Clonidine

1.57

2.2257

−0.6557

50

Clotrimazole

5.2

5.0106

0.1894

51

Clozapine

4.1

4.0854

0.0146

52

Cocaine

3.01

2.2712

0.7388

53

Codeine

1.19

1.2284

−0.0384

54

Coumarin

1.39

1.3826

0.0074

55

Debrisoquine

0.85

1.1733

−0.3233

56

Desipramine

3.79

4.173

−0.383

57

Diacetylmorphine

1.59

1.6449

−0.0549

58

Diclofenac

4.51

4.7773

−0.2673

59

Diethylstilbestrol

5.07

5.5014

−0.4314

60

Diltiazem

2.89

2.6989

0.1911

61

Diphenhydramine

3.18

3.128

0.052

62

Doxorubicin

0.65

0.8555

−0.2055

63

Enalaprilat

−0.13

1.1457

−1.2757

64

Fenpropimorph

4.93

4.9856

−0.0556

65

Fluconazole

0.5

−0.1396

0.6396

66

Flufenamic acid

5.56

5.1055

0.4545

67

Flumazenil

1.64

1.0018

0.6382

68

Flumequine

1.72

1.7723

−0.0523

69

Furosemide

2.56

2.2861

0.2739

70

Griseofulvin

2.18

2.2831

−0.1031

71

Heptastigmine

4.82

4.6349

0.1851

72

Hydrochlorothiazide

−0.03

−0.309

0.279

73

Hydroflumethiazide

0.54

0.4884

0.0516

74

Hydroxyzine

3.55

3.422

0.128

75

Ibuprofen

4.13

3.75

0.38

76

Imazaquin

1.86

1.4923

0.3677

77

Imipramine

4.39

4.3287

0.0613

78

Indomethacin

3.51

4.3134

−0.8034

79

Ketoconazole

4.34

4.2547

0.0853

80

Labetalol

1.33

2.3242

−0.9942

81

Lidocaine

2.44

2.6036

−0.1636

82

Lormetazepam

2.72

3.1982

−0.4782

83

Mefluidide

2.02

2.0636

−0.0436

84

Meloxicam

3.43

3.411

0.019

85

Melphalan

−0.52

−0.1399

−0.3801

86

Methotrexate

0.54

0.5184

0.0216

87

Methysergide

1.95

2.0114

−0.0614

88

Metipranolol

2.81

2.4265

0.3835

89

Metoclopramide

2.34

1.9124

0.4276

90

Metoprolol

1.95

1.7498

0.2002

91

Nadolol

0.85

1.0663

−0.2163

92

Naproxen

3.24

3.6225

−0.3825

93

Nifedipine

3.17

2.8894

0.2806

94

Niflumic acid

3.88

3.2672

0.6128

95

Nitrendipine

3.59

3.2033

0.3867

96

N-Methylaniline

1.65

1.6284

0.0216

97

Norcodeine

0.69

0.8584

−0.1684

98

Nordiazepam

3.15

2.9419

0.2081

99

Normorphine

−0.17

0.2632

−0.4332

100

Nortriptyline

4.39

4.2362

0.1538

101

Ofloxacin

−0.41

−0.1945

−0.2155

102

Omeprazole

1.8

1.7495

0.0505

103

Oxprenolol

2.51

2.213

0.297

104

Papaverine

2.95

3.6619

−0.7119

105

Penbutolol

4.62

4.3191

0.3009

106

Penicillin V

2.09

1.465

0.625

107

Pentachlorophenol

5.12

4.9701

0.1499

108

Pentamidine

2.08

2.4219

−0.3419

109

Pericyazine

3.65

4.1045

−0.4545

110

Phenazopyridine

3.31

2.9295

0.3805

111

Phenobarbital

1.53

1.5003

0.0297

112

Phenol

1.48

1.2669

0.2131

113

Phe-Phe-Phe

0.02

0.6718

−0.6518

114

Prazosin

2.16

1.8179

0.3421

115

Primaquine

3

3.4409

−0.4409

116

Probenecid

3.7

3.0608

0.6392

117

Procainamide

1.23

1.2642

−0.0342

118

Procaine

2.14

2.1052

0.0348

119

Promethazine

4.05

4.5525

−0.5025

120

Proquazone

3.13

3.8239

−0.6939

121

Quinidine

3.44

3.0699

0.3701

122

Quinine

3.5

2.7869

0.7131

123

Quinmerac

0.78

0.9345

−0.1545

124

Quinoline

2.15

2.062

0.088

125

Rufinamide

0.9

0.4976

0.4024

126

Salicylic acid

2.19

2.0417

0.1483

127

Serotonin

0.53

1.0892

−0.5592

128

Sotalol

−0.47

−0.0212

−0.4488

129

Sulfadiazine

−0.12

−0.1382

0.0182

130

Sulfinpyrazone

2.32

2.537

−0.217

131

Sulindac

3.6

3.038

0.562

132

Tacrine

3.32

2.8079

0.5121

133

Terazosin

2.29

2.332

−0.042

134

Terbutaline

−0.08

0.2173

−0.2973

135

Terfenadine

5.52

5.3235

0.1965

136

Tetracaine

3.51

3.7148

−0.2048

137

Thiabendazole

1.94

1.3245

0.6155

138

Thiamphenicol

−0.27

−0.5873

0.3173

139

Tralkoxydim

4.46

4.4558

0.0042

140

Trazodone

1.66

2.3977

−0.7377

141

Trimethoprim

0.83

1.4642

−0.6342

142

Trovafloxacin

0.15

−0.3398

0.4898

143

Trp-Phe

−0.28

0.2391

−0.5191

144

Trp-Trp

−0.1

−0.018

−0.082

145

Tryptophan

−0.77

−0.2481

−0.5219

146

Verapamil

4.33

3.8853

0.4447

147

Warfarin

3.54

2.4709

1.0691

148

1-Benzylimidazole

1.6

1.248

0.352

149

2,4-Dichlorophenoxy acetic acid

2.78

2.9783

−0.1983

150

3,4-Dichlorophenol

3.39

3.8638

−0.4738

151

3-Chlorophenol

2.57

2.5277

0.0423

152

Amoxicillin

−1.71

−1.7229

0.0129

153

Antipyrine (phenazone)

0.56

0.4371

0.1229

154

Bentazone

2.83

1.7299

1.1001

155

Benzocaine

1.89

1.9062

−0.0162

156

Carvedilol

4.14

3.4016

0.7384

157

Cromolyn

1.95

1.7931

0.1569

158

Dapsone

0.94

0.9417

−0.0017

159

Diflunisal

4.32

3.9003

0.4197

160

Disopyramide

2.37

2.7188

−0.3488

161

Ephedrine

1.13

0.6715

0.4585

162

Ergonovine

1.67

1.8769

−0.2069

163

Flamprop

3.09

3.117

−0.027

164

Flurbiprofen

3.99

3.9066

0.0834

165

Fluvastatin

4.17

4.302

−0.132