Molecular Design on Molecular Design COX-2 target
100Valid Structure RateGenetic Algorithm
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Genetic AlgorithmComputation Time per Molecule (s)=>600s2025.06 | 100 | 5.5 | 4.2 | 14.5 | |
| VALID-MolComputation Time per Molecule (s)=15.42025.06 | 99.8 | 8.9 | 2.9 | 5.5 | |
| Direct LLMComputation Time per Molecule (s)=8.22025.06 | 17.5 | 1.8 | 5.4 | 4.8 |