Multi-objective molecular optimization (QED+JNK3+GSK3β) on ZINC20
87.8Diversity (Div)SMILES LSTM
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SMILES LSTM2026.03 | 87.8 | 99.94 | |
| STONED2026.03 | 83.89 | 99.97 | |
| EAG2026.03 | 82.44 | 98.99 | |
| ATOM2026.03 | 81.82 | 99.91 | |
| GRAPH GA2026.03 | 81.62 | 99.97 | |
| GPT4o-mini2026.03 | 79.11 | 97.2 | |
| Drugassist2026.03 | 75.53 | 99.34 | |
| SMILES GA2026.03 | 74.44 | 99.96 | |
| GB PO2026.03 | 65.6 | 99.67 |