ChEMBL
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Offline Model-Based Optimization | ChEMBL | 90th Percentile Oracle Score0.9 | 17 | |
| Retrosynthesis | ChEMBL-1000 (test) | Solved Target Molecules860 | 7 | |
| Retrosynthetic planning | ChEMBL (test) | Success Rate79.05 | 6 | |
| Chemical space projection | ChEMBL (test) | Reconstruction %19.7 | 4 | |
| Graph generation | ChEMBL | Metric- | 0 |
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