Offline Model-Based Optimization on ChEMBL
0.990th Percentile Oracle ScoreDDOM
Evaluation results
| Method | Links | |
|---|---|---|
| DDOMBudget=k=12024.02 | 0.9 | |
| BONETBudget=k=12024.02 | 0.78 | |
| ROMABudget=k=12024.02 | 0.76 | |
| TrajBOBudget=k=12024.02 | 0.71 | |
| BOBudget=k=12024.02 | 0.64 | |
| ExPTBudget=k=12024.02 | 0.62 | |
| BootGenBudget=k=12024.02 | 0.61 | |
| GABOBudget=k=12024.02 | 0.61 | |
| TURBOBudget=k=12024.02 | 0.5 | |
| BDIBudget=k=12024.02 | 0.49 | |
| ROMOBudget=k=12024.02 | 0.42 | |
| COMINBudget=k=12024.02 | 0.41 | |
| Grad.Budget=k=12024.02 | -1.95 | |
| L-BFGSBudget=k=12024.02 | -1.95 | |
| CMA-ESBudget=k=12024.02 | -1.95 | |
| AnnealBudget=k=12024.02 | -1.95 | |
| GAGABudget=k=12024.02 | -1.95 |