Table S8.
Applying Lipinski’s rule of five on investigated data sets
| Data sets | Total | Actives | Inactives |
|---|---|---|---|
| DPP4-TRN | 2,339/2,609 (89.651%) | 1,961/2,075 (94.506%) | 478/534 (89.513%) |
| DPP4-TEST1 | 222/325 (68.308%) | ||
| DPP4-TEST2 | 215/325 (66.154%) | ||
| DPP4-TEST3 | 301/325 (92.615%) |
Note: Values shown are for compounds passing the Lipinski’s rule of five/in relation to the total number of compounds (values in parentheses are percentages passing the Lipinski’s rule of five).