Compounds

AE

ν(O-H)

ν(N-H)

pIC₅₀

Training set

1

1.305

3562.210

3631.280

5.535

2

0.511

3560.910

3630.910

6.069

3

0.768

3561.380

3630.410

6.202

4

0.630

3560.950

3629.760

6.018

5

0.502

3561.920

3631.460

6.507

6

1.123

3562.720

3631.190

6.114

7

0.470

3561.710

3631.710

6.444

8

1.022

3562.170

3632.030

5.836

9

0.585

3562.160

3632.450

6.276

10

0.848

3559.450

3619.450

6.312

11

1.138

3560.340

3630.790

5.348

12

1.122

3560.730

3632.510

5.098

13

1.157

3560.480

3632.420

5.115

Validation set

14

0.586

3561.610

3630.480

6.450

15

1.082

3557.640

3631.620

4.410

16

1.074

3560.81

3632.76

5.100

17

1.409

3561.980

3631.790

5.252

18

1.397

3560.790

3631.690

4.897

19

1.424

3561.520

3631.710

5.357