A QSAR Study Based on SVM for the Compound of Hydroxyl Benzoic Esters
Table 5
Experimental values and 4 SVM models’ internal prediction results of lgt1/2.
ID
lgt1/2
Radial + eps-reg
Radial + nu-reg
Linear + eps-reg
Linear + nu-reg
1
1.819
1.779216
1.781302
1.812285
1.951165
2
1.869
1.827756
1.798580
1.835602
1.744102
3
2.139
1.713926
1.707563
1.769820
1.770619
4
2.060
1.772371
1.768500
1.792442
1.770267
5
1.230
1.599024
1.587027
1.580694
1.487888
6
1.176
1.363148
1.374539
1.355817
1.313377
7
1.312
1.373201
1.398522
1.345323
1.450414
9
1.623
1.585821
1.578657
1.629972
1.523181
10
1.079
1.494724
1.494087
1.112267
1.219324
12
1.748
1.775344
1.796207
1.781397
1.889308
13
1.880
1.858219
1.863383
1.913434
2.022421
14
1.973
1.927762
1.934197
2.059377
2.163645
15
2.245
1.916552
1.925729
2.008084
2.130922
16
2.193
1.831546
1.848498
1.922720
2.069817
17
1.789
1.803731
1.811289
1.822127
1.903807
18
1.462
1.606335
1.624347
1.576873
1.609259
20
1.447
1.525688
1.545616
1.413420
1.445952
21
1.447
1.554127
1.544298
1.663491
1.646921
22
1.599
1.571473
1.551537
1.576665
1.501430
23
1.491
1.524709
1.527338
1.452021
1.384236
24
1.565
1.590526
1.575234
1.531546
1.459150
25
1.462
1.534525
1.549003
1.428528
1.357148
Note. Radial + eps-reg, radial + nu-reg, linear + eps-reg, and linear + nu-reg, respectively, represent the 4 SVM models where kernel function is radial and linear and type is eps-regression and nu-regression.