| 序号 | 前20个对生物活性最具有显著影响的分子描述符 |
| 1 | MDEC-23 |
| 2 | MLogP |
| 3 | LipoaffinityIndex |
| 4 | C1SP2 |
| 5 | nC |
| 6 | CrippenLogP |
| 7 | maxsOH |
| 8 | AMR |
| 9 | ATSp5 |
| 10 | SwHBa |
| 11 | ATSp4 |
| 12 | ATSp2 |
| 13 | ATSp1 |
| 14 | C2SP2 |
| 15 | SP-5 |
| 16 | apol |
| 17 | minsssN |
| 18 | nT6Ring |
| 19 | fragC |
| 20 | SaaCH |