Molecule Optimization on GuacaMol (test)
4.903Total Score SumDoG-Gen
Evaluation results
| Method | Links | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| DoG-Gen2026.01 | 4.903 | — | — | — | — | — | — | — | — | — | — | 8 | |
| LSTM HC SELFIES2026.01 | 4.862 | — | — | — | — | — | — | — | — | — | — | 9 | |
| SMILES GA2026.01 | 4.732 | — | — | — | — | — | — | — | — | — | — | 10 | |
| SynNet2026.01 | 4.579 | — | — | — | — | — | — | — | — | — | — | 11 | |
| MolPAL2026.01 | 4.221 | 0.309 | 0.273 | 0.504 | 0.816 | 0.651 | 0.117 | 0.286 | 0 | 0.556 | 0.709 | 16 | |
| MARS2026.01 | 4.189 | 0.233 | 0.203 | 0.488 | 0.809 | 0.546 | 0.083 | 0.296 | 0 | 0.776 | 0.755 | 17 | |
| Screening2026.01 | 4.089 | 0.271 | 0.244 | 0.5 | 0.801 | 0.613 | 0.142 | 0.28 | 0 | 0.532 | 0.706 | 18 | |
| VAE BOrepresentation=SMILES2026.01 | 4.019 | 0.267 | 0.222 | 0.484 | 0.801 | 0.611 | 0.114 | 0.139 | 0.064 | 0.598 | 0.719 | 19 |