Molecular Property Prediction on ESOL
2.88Alpha (α)MLT-BERT
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MLT-BERTKernel=Gaussian2025.10 | 2.88 | 1.43 | 1.06 | 1 | 0.913 | |
| SELFormerKernel=Gaussian2025.10 | 2.12 | 2.57 | 1.14 | 1.01 | 1.066 | |
| GROVERbaseKernel=Gaussian2025.10 | 1.94 | 1.85 | 1.11 | 1 | 0.554 | |
| GROVERlargeKernel=Gaussian2025.10 | 1.89 | 1.86 | 1.11 | 1 | 0.584 | |
| ChemBERTaKernel=Gaussian2025.10 | 1.85 | 5.96 | 1.38 | 1.02 | 0.865 | |
| SELFIES-TEDKernel=Gaussian2025.10 | 1.43 | 8.1 | 1.58 | 1.03 | 0.527 | |
| ECFP4Kernel=Gaussian2025.10 | 1.26 | 1.02 | 1 | 1 | 0.959 | |
| ECFP4Kernel=Laplacian2025.10 | 1.25 | 1.04 | 1 | 1 | 0.966 | |
| GROVERbaseKernel=Laplacian2025.10 | 1.19 | 1 | 1 | 1 | 0.577 | |
| GROVERlargeKernel=Laplacian2025.10 | 1.18 | 1 | 1 | 1 | 0.572 | |
| MLT-BERTKernel=Laplacian2025.10 | 1.14 | 6.87 | 1.49 | 1.03 | 0.868 | |
| ECFP4Kernel=Dice2025.10 | 1.06 | 138.9 | 6.33 | 1.41 | 0.84 | |
| ECFP6Kernel=Gaussian2025.10 | 1.06 | 1.03 | 1 | 1 | 0.912 | |
| ChemBERTaKernel=Laplacian2025.10 | 1.01 | 4.91 | 1.26 | 1 | 0.816 | |
| SELFormerKernel=Laplacian2025.10 | 0.97 | 4.27 | 1.24 | 1 | 0.935 | |
| SELFIES-TEDKernel=Laplacian2025.10 | 0.95 | 4.13 | 1.2 | 1 | 0.52 | |
| ECFP6Kernel=Dice2025.10 | 0.88 | 216.92 | 8.07 | 1.5 | 0.805 | |
| ECFP6Kernel=Laplacian2025.10 | 0.83 | 16.37 | 1.57 | 1 | 0.89 | |
| ECFP4Kernel=Tanimoto2025.10 | 0.76 | 327.31 | 10.9 | 1.62 | 0.764 | |
| ECFP6Kernel=Tanimoto2025.10 | 0.66 | 433.98 | 14.29 | 1.78 | 0.78 |