Multi-objective molecular optimization (GSK3β+QED+SA) on ZINC20
87.8DiversitySMILES LSTM
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SMILES LSTM2026.03 | 87.8 | 99.94 | |
| GRAPH GA2026.03 | 85.18 | 99.97 | |
| EAG2026.03 | 84.01 | 99.12 | |
| ATOM2026.03 | 82.78 | 99.98 | |
| SMILES GA2026.03 | 82.53 | 99.97 | |
| STONED2026.03 | 78.28 | 99.97 | |
| Drugassist2026.03 | 75.01 | 99.34 | |
| GPT4o-mini2026.03 | 68.9 | 96.67 | |
| GB PO2026.03 | 62.53 | 99.67 |