Table 8.
Comparison of observed and predicted antibacterial, antifungal and antimicrobial activity obtained by mt-QSAR model.
| Comp. | pMICab (Eq. (11)) |
pMICaf (Eq. (12)) |
pMICam (Eq. (13)) |
||||||
|---|---|---|---|---|---|---|---|---|---|
| Obs. | Pre. | Res. | Obs. | Pre. | Res. | Obs. | Pre. | Res. | |
| 1 | 2.08 | 2.09 | −0.01 | 1.60 | 1.40 | 0.20 | 1.89 | 1.81 | 0.08 |
| 2 | 2.11 | 2.22 | −0.11 | 1.63 | 1.49 | 0.14 | 1.92 | 1.92 | 0.00 |
| 3 | 2.00 | 2.06 | −0.06 | 1.35 | 1.33 | 0.02 | 1.74 | 1.76 | −0.02 |
| 4 | 2.11 | 2.09 | 0.02 | 1.37 | 1.43 | −0.06 | 1.81 | 1.83 | −0.02 |
| 5 | 2.22 | 2.19 | 0.03 | 1.37 | 1.53 | −0.16 | 1.88 | 1.92 | −0.04 |
| 6 | 2.22 | 2.22 | 0.00 | 1.35 | 1.52 | −0.17 | 1.87 | 1.94 | −0.07 |
| 7 | 2.32 | 2.15 | 0.17 | 1.37 | 1.48 | −0.11 | 1.94 | 1.88 | 0.06 |
| 8 | 2.12 | 2.09 | 0.03 | 1.36 | 1.37 | −0.01 | 1.82 | 1.80 | 0.02 |
| 9 | 2.43 | 2.46 | −0.03 | 1.83 | 1.82 | 0.01 | 2.19 | 2.20 | −0.01 |
| 10 | 2.10 | 2.10 | 0.00 | 1.35 | 1.43 | −0.08 | 1.80 | 1.83 | −0.03 |
| 11 | 2.05 | 2.05 | 0.00 | 1.20 | 1.36 | −0.16 | 1.71 | 1.77 | −0.06 |
| 12 | 1.85 | 1.87 | −0.02 | 1.14 | 1.23 | −0.09 | 1.57 | 1.61 | −0.04 |
| 13 | 2.02 | 1.95 | 0.07 | 1.27 | 1.27 | 0.00 | 1.72 | 1.68 | 0.04 |
| 14 | 1.84 | 1.80 | 0.04 | 1.29 | 1.20 | 0.09 | 1.62 | 1.56 | 0.06 |
| 15 | 2.22 | 2.27 | −0.05 | 1.62 | 1.53 | 0.09 | 1.98 | 1.97 | 0.01 |
| 16 | 2.15 | 2.12 | 0.03 | 1.50 | 1.42 | 0.08 | 1.89 | 1.84 | 0.05 |
| 17 | 1.76 | 1.81 | −0.05 | 1.31 | 1.22 | 0.09 | 1.58 | 1.58 | 0.00 |
| 18 | 2.11 | 2.05 | 0.06 | 1.79 | 1.64 | 0.15 | 1.98 | 1.90 | 0.08 |
| 19 | 2.02 | 1.98 | 0.04 | 1.61 | 1.58 | 0.03 | 1.86 | 1.84 | 0.02 |
| 20 | 1.74 | 1.88 | −0.14 | 1.39 | 1.44 | −0.05 | 1.60 | 1.72 | −0.12 |