Table 1 Three molecules considered successively as reference molecule for the in-silico validation of the RScore. The values of the different synthetic scores for those molecules are also indicated
From: Integrating synthetic accessibility with AI-based generative drug design
Name | Molecule | RA score | SC score | SA score | RScore3min | RSPred |
|---|---|---|---|---|---|---|
Imatinib |
| 1 | 4.996 | 2.33 | 1 | 0.72 |
Acetylsalicylic acid |
| 1 | 1.59 | 1.58 | 1 | 0.83 |
Pi 3K/mTOR |
| 0.975 | 4.995 | 3.56 | 0.6 | 0.55 |
