Phase Change (PH) on NMO
0.52AUCGenetic GFN
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Genetic GFNRepresentation=GGS2026.06 | 0.52 | 75 | 3.35 | 80 | |
| molGARepresentation=GGS, Genetic Operator=our GA2026.06 | 0.35 | 52 | 3.52 | 0 | |
| Full method (ours)Representation=GGS2026.06 | 0.33 | 75 | 3.37 | 80 | |
| REINVENTRepresentation=GGS2026.06 | 0.1 | 20 | 3.29 | 0 | |
| Genetic GFNRepresentation=SMILES, Pre-training Dataset=Synth. Dataset2026.06 | 0.1 | 20 | 5.16 | 20 | |
| Genetic GFNRepresentation=SMILES, Pre-training Dataset=ZINC2026.06 | 0.08 | 10 | 4.85 | 20 | |
| molGARepresentation=SMILES2026.06 | 0.07 | 10 | 4.54 | 0 | |
| REINVENTRepresentation=SMILES, Pre-training Dataset=Synth. Dataset2026.06 | 0.04 | 6 | 4.18 | 0 | |
| f-RAGRepresentation=SMILES2026.06 | 0.02 | 4 | 4.58 | 0 | |
| GENMOLRepresentation=SMILES2026.06 | 0.02 | 2 | 3.85 | 0 | |
| REINVENTRepresentation=SMILES, Pre-training Dataset=ZINC2026.06 | 0.01 | 2 | 3.72 | 0 |