Table 5 Additional testing database.
From: Prediction of pKa Values for Neutral and Basic Drugs based on Hybrid Artificial Intelligence Methods
NO. | Compounds | Experimental pKa |
|---|---|---|
1 | Guanidine | 13.8 |
2 | Clomipramine | 9.42 |
3 | Papaverine | 6.4 |
4 | Clotrimazole | 5.75 |
5 | Tryptophan | 9.1 |
6 | Methylamine | 10.62 |
7 | sec-Butylamine | 10.56 |
8 | Imipramine | 9.6 |
9 | n-Octylamine | 10.7 |
10 | Morpholine | 8.5 |
11 | Procaine | 9.11 |
12 | Guanethidine | 11.4 |
13 | Imidazo[2,3-b]thioxazole | 8 |
14 | Trimipramine | 9.39 |
15 | Dimethyl-iso-propylamine | 10.3 |
16 | tert-Butylcyclohexylamine | 11.23 |
17 | Sotalol | 9.3 |
18 | Alphaprodine | 8.7 |
19 | p-Toluidine | 5.1 |
20 | Nikethamide | 3.5 |
