Table 3 Shows donor D8 and Ring R13 along with any other pharmcophoric point from 5 sites
From: Enhanced ranking of PknB Inhibitors using data fusion methods
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 |