Table 3.
Correlation coefficients, adjusted correlation coefficients and standard deviations correspond to the simple linear regressions between logIC50 and calculated descriptors.
| Descriptors | R2 (%) | R2 Adjusted | SD |
|---|---|---|---|
| BDE | 31.18 | 25.45 | 0.2372 |
| BDEd | 28.26 | 22.28 | 0.2422 |
| IPd | 11.47 | 4% | 0.2691 |
| IP | 3.88 | −4% | 0.2804 |
| EA | 20.57 | 13.95 | 0.2549 |
| χ | 9.58 | 2.05 | 0.2719 |
| η | 0.1 | −8.23 | 0.2858 |
| S | 0.28 | −8.03 | 0.2856 |
| ω | 21.98 | 15.48 | 0.2526 |
| α | 8.43 | 0.7 | 0.2738 |
| μ | 13.07 | 5.82 | 0.2666 |
| A | 0.34 | −7.96 | 0.2855 |
| V | 0.91 | −7.34 | 0.2847 |
| M | 14.42 | 7.29 | 0.2645 |
| logP | 0.33 | −7.98 | 0.2855 |
| nOH | 20.46 | 14.03 | 0.2548 |
| SD | 46.35 | 41.88 | 0.2095 |
| ΔG | 21.78 | 15.26 | 0.2529 |