Table 7.
Comparison of observed and predicted antibacterial and antifungal activity obtained by ot-QSAR model.
Comp. | pMICsa (Eq. (3)) |
pMICbs (Eq. (4)) |
pMICec (Eq. (5)) |
pMICca (Eq. (6)) |
pMICan (Eq. (7)) |
||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Obs. | Pre. | Res. | Obs. | Pre. | Res. | Obs. | Pre. | Res. | Obs. | Pre. | Res. | Obs. | Pre. | Res. | |
1 | 1.80 | 2.04 | −0.24 | 2.03 | 2.01 | 0.02 | 2.40 | 2.22 | 0.18 | 1.70 | 1.50 | 0.20 | 1.50 | 1.37 | 0.13 |
2 | 2.08 | 2.14 | −0.06 | 2.12 | 2.11 | 0.01 | 2.12 | 2.38 | −0.26 | 1.78 | 1.62 | 0.16 | 1.48 | 1.19 | 0.29 |
3 | 2.10 | 2.03 | 0.07 | 1.80 | 1.93 | −0.13 | 2.10 | 2.20 | −0.10 | 1.20 | 1.38 | −0.18 | 1.50 | 1.31 | 0.19 |
4 | 2.09 | 2.06 | 0.03 | 1.82 | 2.05 | −0.23 | 2.42 | 2.16 | 0.26 | 1.52 | 1.55 | −0.03 | 1.22 | 1.25 | −0.03 |
5 | 2.12 | 2.15 | −0.03 | 2.13 | 2.15 | −0.02 | 2.42 | 2.27 | 0.15 | 1.52 | 1.67 | −0.15 | 1.22 | 1.23 | −0.01 |
6 | 2.10 | 2.15 | −0.05 | 2.15 | 2.14 | 0.01 | 2.40 | 2.35 | 0.05 | 1.50 | 1.67 | −0.17 | 1.20 | 1.31 | −0.11 |
7 | 2.12 | 2.09 | 0.03 | 2.42 | 2.10 | 0.32 | 2.42 | 2.24 | 0.18 | 1.52 | 1.62 | −0.10 | 1.22 | 1.46 | −0.24 |
8 | 2.12 | 2.06 | 0.06 | 2.12 | 1.98 | 0.14 | 2.12 | 2.22 | −0.10 | 1.51 | 1.44 | 0.07 | 1.21 | 1.33 | −0.12 |
9 | 2.43 | 2.35 | 0.08 | 2.43 | 2.47 | −0.04 | 2.43 | 2.54 | −0.11 | 2.13 | 2.10 | 0.03 | 1.53 | 1.54 | −0.01 |
10 | 2.10 | 2.06 | 0.04 | 2.10 | 2.05 | 0.05 | 2.10 | 2.19 | −0.09 | 1.50 | 1.56 | −0.06 | 1.20 | 1.26 | −0.06 |
11 | 2.10 | 2.03 | 0.07 | 1.95 | 1.96 | −0.01 | 2.10 | 2.15 | −0.05 | 1.50 | 1.43 | 0.07 | 0.89 | 1.20 | −0.31 |
12 | 1.85 | 1.76 | 0.09 | 1.85 | 1.83 | 0.02 | 1.85 | 2.03 | −0.18 | 1.44 | 1.41 | 0.03 | 0.84 | 1.06 | −0.22 |
13 | 1.72 | 1.81 | −0.09 | 2.02 | 1.88 | 0.14 | 2.32 | 2.15 | 0.17 | 1.42 | 1.47 | −0.05 | 1.12 | 1.01 | 0.11 |
14 | 1.74 | 1.71 | 0.03 | 1.74 | 1.80 | −0.06 | 2.04 | 1.92 | 0.12 | 1.44 | 1.39 | 0.05 | 1.14 | 1.08 | 0.06 |
15 | 2.13 | 2.17 | −0.04 | 2.13 | 2.15 | −0.02 | 2.39 | 2.44 | −0.05 | 1.75 | 1.68 | 0.07 | 1.48 | 1.31 | 0.17 |
16 | 2.10 | 2.06 | 0.04 | 2.10 | 2.03 | 0.07 | 2.26 | 2.25 | 0.01 | 1.50 | 1.54 | −0.04 | 1.50 | 1.34 | 0.16 |
17 | 1.76 | 1.74 | 0.02 | 1.76 | 1.83 | −0.07 | 1.76 | 1.88 | −0.12 | 1.46 | 1.41 | 0.05 | 1.16 | 1.14 | 0.02 |
18 | 2.24 | 2.24 | 0.00 | 2.24 | 2.27 | −0.03 | 1.85 | 1.72 | 0.13 | 1.94 | 1.76 | 0.18 | 1.63 | 1.60 | 0.03 |
19 | 2.23 | 2.16 | 0.07 | 2.23 | 2.20 | 0.03 | 1.61 | 1.68 | −0.07 | 1.61 | 1.70 | −0.09 | 1.61 | 1.53 | 0.08 |
20 | 1.84 | 1.98 | −0.14 | 1.84 | 2.06 | −0.22 | 1.54 | 1.68 | −0.14 | 1.54 | 1.59 | −0.05 | 1.23 | 1.38 | −0.15 |