Synthesizability Prediction on COCONUT OOD (test)
100ROC AUCSAScore
Evaluation results
| Method | Links | |
|---|---|---|
| SAScoreDescription=labeling function; circular2026.06 | 100 | |
| GINE + Both physics-aware lossesComponents=Both physics-aware losses2026.06 | 98.4 | |
| GINE baselineTraining=trained on SAScore labels2026.06 | 97.7 | |
| Molecular weightDescription=naive size proxy2026.06 | 78.5 | |
| Heavy-atom countDescription=naive size proxy2026.06 | 78.2 | |
| SCScoreDescription=independent learned scorer2026.06 | 65.6 |