Table 9.
Prediction of biological activity of promising molecules.
| Molecule | Molinspiration | PASS | |||
|---|---|---|---|---|---|
| Score | Bioactivity | Pa [a] | Pi [b] | Biological Activity | |
| 11b | 0.65 0.28 |
Protease inhibitor Enzyme inhibitor |
0.265 | 0.016 | Protease inhibitor |
| MolPort-009-219-532 | 0.11 0.04 |
Protease inhibitor Enzyme inhibitor |
- | - | - |
| MolPort-004-996-519 | −0.08 −0.17 |
Protease inhibitor Enzyme inhibitor |
- | - | - |
| MolPort-005-060-605 | −0.48 −0.35 |
Protease inhibitor Enzyme inhibitor |
- | - | - |
| MolPort-005-028-274 | −0.36 −0.47 |
Protease inhibitor Enzyme inhibitor |
0.134 | 0.059 | Protease inhibitor |
| MolPort-009-499-144 | −0.52 −0.47 |
Protease inhibitor Enzyme inhibitor |
- | - | - |
[a] Pa (probability to be active); [b] Pi (probability to be inactive).