Table 6.
Correlation coefficients (r) between ‘NBD’ and the physicochemical properties of antiviral drugs, modeled as molecular multigraphs using a linear regression model.
| Index | BP | E | FP | MR | PSA | P | ST | MV |
|---|---|---|---|---|---|---|---|---|
| 0.9845 | 0.9816 | 0.7862 | 0.8322 | 0.9094 | 0.8323 | 0.4899 | 0.6721 | |
| 0.9157 | 0.9146 | 0.5803 | 0.6613 | 0.8904 | 0.6612 | 0.6661 | 0.4583 | |
| 0.728 | 0.7168 | 0.9513 | 0.9638 | 0.5887 | 0.964 | 0.2036 | 0.9755 | |
| 0.7684 | 0.7688 | 0.3337 | 0.4358 | 0.7822 | 0.4356 | 0.2085 | ||
| NF | 0.91 | 0.909 | 0.5715 | 0.6501 | 0.8946 | 0.6501 | 0.6664 | 0.4464 |
| 0.194 | 0.2146 | 0.1972 | 0.0534 | 0.5369 | 0.0551 | 0.2403 | 0.0169 | |
| NH | 0.8857 | 0.8782 | 0.9781 | 0.758 | 0.9784 | 0.0446 | 0.9285 | |
| NI | 0.9858 | 0.9828 | 0.7902 | 0.839 | 0.889 | 0.839 | 0.4949 | 0.6802 |
| S | 0.8439 | 0.8433 | 0.4498 | 0.5446 | 0.8265 | 0.5444 | 0.7427 | 0.3261 |
| 0.8873 | 0.8798 | 0.9777 | 0.9818 | 0.7523 | 0.9821 | 0.0492 | 0.9321 |
Bolded values represent the highly correlated values for multigraph and * represent highly correlated values for multigraph compared to simple graph.