| 分子描述符 | Pearson | Spearman | LASSO | Forest | 得分数 |
| MLFER_A | 0.39698 | 0.39698 | 0.34897 | 0.06088 | 0.02144 |
| minsssN | 0.40252 | 0.40252 | 0.24038 | 0.01516 | 0.02003 |
| … | … | … | … | … | … |
| ATSc4 | 0.35080 | 0.35080 | 0.11987 | 0.01005 | 0.01653 |
| … | … | … | … | … | … |
| nF8Ring | 0.00395 | 0.00395 | 0.02328 | 2.51E−05 | 0.00102 |
| maxdssC | −0.01041 | −0.01041 | 0 | 0.00693 | 0.00022 |