Fused ring (%) | Furan ring (%) | Benzene ring (%) | |
---|---|---|---|
DrugEx (Pre-trained) | 9.12 | 82.32 | 61.48 |
DrugEx (Fine-tuned) | 60.69 | 66.35 | 65.62 |
REINVENT | 0.20 | 95.26 | 61.98 |
ORGANIC | 0.02 | 99.96 | 39.45 |
Pre-trained | 24.22 | 4.51 | 63.31 |
Fine-tuned | 76.33 | 23.82 | 72.85 |
ZINC | 26.66 | 3.86 | 63.97 |
A2AR | |||
Active | 79.09 | 40.29 | 75.33 |
Inactive | 76.73 | 9.33 | 70.88 |