Extended Rule of Five and Prediction of Biological Activity of peptidic HIV-1-PR Inhibitors
Table 2.
Predicted activities of the compounds as obtained byEqs.1-5.
| No. | o(log1/C) | p(log1/C) | | Eq.1 | Eq.2 | Eq.3 | Eq.4 | Eq.5 | | 1 | 5.82 | 5.96 | 6.27 | 6.26 | 6.22 | 6.21 | | 2 | 6.03 | 7.03 | 7.08 | 7.08 | 7.15 | 7.15 | | 3 | 6.90 | 7.57 | 7.54 | 7.53 | 7.53 | 7.52 | | 4 | 6.29 | 6.67 | 6.81 | 6.80 | 6.84 | 6.84 | | 5 | 6.48 | 6.32 | 6.54 | 6.54 | 6.54 | 6.54 | | 6 | 6.59 | 6.67 | 6.81 | 6.81 | 6.85 | 6.85 | | 7 | 7.46 | 7.03 | 7.11 | 7.11 | 7.21 | 7.21 | | 8 | 8.22 | 7.57 | 7.57 | 7.56 | 7.58 | 7.58 | | 9 | 7.89 | 7.39 | 7.38 | 7.38 | 7.51 | 7.52 | | 10 | 8.52 | 7.92 | 7.84 | 7.84 | 7.90 | 7.91 | | 11 | 7.54 | 8.05 | 7.92 | 7.92 | 7.91 | 7.91 | | 12 | 8.30 | 8.58 | 8.38 | 8.38 | 8.29 | 8.28 | | 13 | 7.72 | 7.90 | 7.80 | 7.80 | 7.79 | 7.79 | | 14 | 8.52 | 8.43 | 8.26 | 8.26 | 8.17 | 8.16 | | 15a | 5.19 | 7.91 | 7.91 | 7.91 | 7.91 | 7.91 | | 16a | 5.29 | 7.91 | 7.91 | 7.91 | 7.91 | 7.91 | | 17 | 6.98 | 7.39 | 7.44 | 7.45 | 7.43 | 7.44 | | 18 | 7.72 | 7.93 | 7.90 | 7.91 | 7.81 | 7.81 | | 19 | 9.60 | 8.15 | 8.07 | 8.05 | 8.04 | 8.01 | | 20 | 8.11 | 8.51 | 8.32 | 8.30 | 8.32 | 8.29 | | 21 | 9.72 | 8.92 | 8.71 | 8.67 | 8.83 | 8.80 | | 22 | 9.59 | 9.35 | 8.98 | 8.97 | 8.93 | 8.91 | | 23 | 9.64 | 8.81 | 8.59 | 8.57 | 8.61 | 8.58 | | 24 | 9.22 | 10.44 | 9.97 | 9.95 | 9.98 | 9.96 | | 25 | 9.57 | 8.24 | 8.07 | 8.07 | 7.96 | 7.95 | | 26a | 9.51 | 7.86 | 7.86 | 7.86 | 7.86 | 7.86 | | 27a | 9.57 | 7.99 | 7.99 | 7.99 | 7.99 | 7.99 | | 28 | 5.53 | 5.86 | 6.29 | 6.27 | 6.22 | 6.18 | | 29a | 9.8 | 7.88 | 7.88 | 7.88 | 7.88 | 7.88 | | 30 | 7.56 | 6.88 | 7.14 | 7.14 | 7.12 | 7.12 | | 31a | 9.14 | 10.43 | 10.43 | 10.43 | 10.43 | 10.43 | | 32 | 8.27 | 8.34 | 8.33 | 8.34 | 8.35 | 8.36 | | 33 | 9.28 | 8.18 | 8.27 | 8.27 | 8.32 | 8.32 | | 34 | 9.60 | 8.97 | 8.85 | 8.85 | 8.91 | 8.92 | | 35 | 9.77 | 9.58 | 9.22 | 9.23 | 9.34 | 9.35 | | 36 | 6.94 | 7.61 | 7.66 | 7.63 | 7.65 | 7.62 | | 37 | 8.02 | 6.88 | 7.11 | 7.10 | 7.11 | 7.09 | | 38 | 7.47 | 8.27 | 8.19 | 8.16 | 8.13 | 8.09 | | 39a | 6.16 | 8.06 | 8.06 | 8.06 | 8.06 | 8.06 | | 40 | 6.79 | 6.81 | 6.93 | 6.91 | 7.01 | 7.00 | | 41a | 7.18 | 8.38 | 8.38 | 8.38 | 8.38 | 8.38 | | 42a | 6.67 | 8.29 | 8.29 | 8.29 | 8.29 | 8.29 | | 43 | 6.91 | 7.29 | 7.39 | 7.55 | 7.37 | 7.57 | | 44 | 9.16 | 8.51 | 8.34 | 8.52 | 8.31 | 8.51 | | 45a | 9.75 | 7.88 | 7.88 | 7.88 | 7.88 | 7.88 | | 46 | 7.39 | 8.03 | 7.96 | 7.95 | 7.89 | 7.87 | | 47a | 4.52 | 7.78 | 7.78 | 7.78 | 7.78 | 7.78 | | 48 | 6.89 | 8.27 | 8.20 | 8.18 | 8.15 | 8.12 | | 49 | 6.84 | 8.12 | 8.05 | 8.03 | 8.08 | 8.05 | | 50a | 10.00 | 7.88 | 7.88 | 7.88 | 7.88 | 7.88 | | 51 | 7.41 | 7.85 | 7.82 | 7.79 | 7.88 | 7.85 | a Data points not included in deriving regression equation
|
a Data points not included in deriving regression equation |
