LogP optimization with similarity preservation on Molecular logP optimization dataset
1ValidityRandom target class
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Random target class2026.05 | 1 | 0.67 | 0.81 | 2.45 | 1 | 0 | 1 | 0.14 | 0 | |
| Nearest target class2026.05 | 1 | 0.34 | 0.82 | 2.28 | 1 | 0 | 1 | 0.6 | 0 | |
| VAE reconstruction2026.05 | 0.91 | 0.53 | 0.8 | 2.7 | 0.53 | 0.99 | 0.19 | 0.59 | 0.11 | |
| PURE2026.05 | 0.86 | 0.96 | 0.54 | 2.83 | 0.61 | 1 | 0.45 | 0.58 | 0.26 | |
| DiGrees2026.05 | 0.83 | 0.99 | 0.77 | 2.87 | 1 | 1 | 1 | 0.13 | 0.13 | |
| Mol-CycleGAN2026.05 | 0.72 | 0.9 | 0.82 | 2.57 | 0.71 | 0.99 | 0.51 | 0.15 | 0.08 | |
| PhAME2026.05 | 0.71 | 0.88 | 0.74 | 2.96 | 0.89 | 0.99 | 0.78 | 0.39 | 0.3 |