Structure-based drug design on protein targets (Set A)
100UniquenessGEKO
Evaluation Results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| GEKOMethod paradigm=Guided2022.09 | 100 | 55.7 | 100 | 91.2 | 0.51 | -9.58 | |
| liGANMethod paradigm=Supervised2022.09 | 100 | 0.4 | 100 | 92.4 | 0 | -5.84 | |
| SCREENMethod paradigm=Retrieved, Sample size=1K2022.09 | 100 | 25.6 | 100 | 89.2 | 0.23 | -7.46 | |
| SCREENMethod paradigm=Retrieved, Sample size=200K2022.09 | 100 | 64 | 100 | 88.9 | 0.57 | -8.66 | |
| DESERT-LIGANDMethod paradigm=Ours2022.09 | 100 | 65.3 | 87 | 78.6 | 0.41 | -8.89 | |
| DESERT-POCKETMethod paradigm=Ours2022.09 | 100 | 61.1 | 100 | 90.8 | 0.57 | -9.62 | |
| 3D SBDDMethod paradigm=Supervised2022.09 | 69.7 | 13.6 | 98.9 | 83.9 | 0.08 | -8.83 |