TABLE 2.
The 20 most significant sub-descriptors (i.e., variables) for biological activity.
| Molecular descriptors | Grey correlation | Spearman’s rank correlation coefficient | Normalised and weighted score values |
|---|---|---|---|
| MDEC-23 | 0.7997 | 0.5491 | 0.9999 |
| MLogP | 0.7943 | 0.5452 | 0.9872 |
| LipoaffinityIndex | 0.7954 | 0.5249 | 0.9707 |
| CrippenLogP | 0.7861 | 0.4738 | 0.9081 |
| SwHBa | 0.7895 | 0.4457 | 0.8883 |
| nC | 0.7641 | 0.4868 | 0.8821 |
| nT6Ring | 0.7809 | 0.4383 | 0.8668 |
| n6Ring | 0.7861 | 0.4281 | 0.8665 |
| BCUTp-1h | 0.7821 | 0.4329 | 0.8639 |
| SP-5 | 0.7764 | 0.4427 | 0.8631 |
| C2SP2 | 0.7686 | 0.4430 | 0.8499 |
| SP-6 | 0.7775 | 0.4201 | 0.8444 |
| ATSp4 | 0.7642 | 0.4444 | 0.8437 |
| ATSp2 | 0.7601 | 0.4443 | 0.8365 |
| ATSp5 | 0.7537 | 0.4514 | 0.8321 |
| ATSp3 | 0.7648 | 0.4296 | 0.8312 |
| maxsOH | 0.7460 | 0.4619 | 0.8284 |
| ATSp1 | 0.7550 | 0.4439 | 0.8274 |
| nHaaCH | 0.7632 | 0.4226 | 0.8221 |
| naaCH | 0.7632 | 0.4226 | 0.8221 |