Table 3.
Shows donor D8 and Ring R13 along with any other pharmcophoric point from 5 sites
| Pharmacophore points | BEDROC(α=20) | RIE | %Yield Of Actives | %Actives | Specificity | Goodness of Hit(GH Score) |
|---|---|---|---|---|---|---|
| D8,R12,R13 |
0.331 |
4.81 |
7.3 |
51.4 |
0.774 |
0.1418355 |
| D8,R13,R11 |
0.306 |
4.45 |
11.11 |
31.4 |
0.912 |
0.1475844 |
| D8,R13,A4 |
0.183 |
2.67 |
5.8 |
14.2 |
0.919 |
0.072601 |
| D8,R13,D5 |
0.32 |
4.74 |
11.8 |
31.4 |
0.918 |
0.153306 |
| D8,D6,R13 | 0.18 | 2.72 | 23.8 | 14.2 | 0.984 | 0.210576 |
This indicates that D8 and R13 cannot be selected as a pharmacophoric point.