Table 3 Calculated Pearson and Spearman's rgcorrelation coefficients between each molecular descriptor and log Keq.
| Â | Â | All Drugs | Â | Â | Â | Intercalators | Â | Â | Â | 'M-region' | Â | Â |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Â | Pearson | p | Spearman's | p a | Pearson | p | Spearman's | p | Pearson | p | Spearman's | P |
Mw | -0.396 | 7.22 × 10-2 | -0.177 | 2.64 × 10-1 | -0.096 | 3.96 × 10-1 | 0.073 | 4.20 × 10-1 | -0.909 | 8.72 × 10-4 | -0.857 | 3.27 × 10-3 |
XlogP | -0.461 | 4.20 × 10-2 | -0.388 | 7.66 × 10-2 | -0.662 | 1.85 × 10-2 | -0.699 | 1.20 × 10-2 | -0.118 | 3.91 × 10-1 | 0.000 | 5.00 × 10-1 |
HbD | 0.047 | 4.34 × 10-1 | 0.252 | 1.83 × 10-1 | 0.189 | 3.01 × 10-1 | 0.636 | 2.40 × 10-2 | -0.368 | 1.85 × 10-1 | -0.258 | 2.69 × 10-1 |
HbA | -0.272 | 1.63 × 10-1 | -0.244 | 1.91 × 10-1 | 0.143 | 3.50 × 10-1 | 0.049 | 4.47 × 10-1 | -0.955 | 1.11 × 10-4 | -0.976 | 1.66 × 10-5 |
PSA | -0.151 | 2.96 × 10-1 | -0.211 | 2.25 × 10-1 | 0.079 | 4.10 × 10-1 | 0.141 | 3.50 × 10-1 | -0.950 | 1.47 × 10-4 | -0.994 | 1.00 × 10-6 |
Complexity | -0.373 | 8.56 × 10-2 | -0.252 | 1.82 × 10-1 | -0.088 | 4.00 × 10-1 | -0.067 | 4.30 × 10-1 | -0.844 | 4.18 × 10-3 | -0.857 | 3.27 × 10-3 |