Molecular Property Prediction on Lipophilicity
3.61Alpha (α)MLT-BERT
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MLT-BERTKernel=Gaussian2025.10 | 3.61 | 1.2 | 1.02 | 1 | 0.915 | |
| SELFormerKernel=Gaussian2025.10 | 2.48 | 2.53 | 1.15 | 1 | 0.811 | |
| GROVERbaseKernel=Gaussian2025.10 | 2.11 | 1.29 | 1.04 | 1 | 0.533 | |
| ECFP4Kernel=Dice2025.10 | 2.1 | 156.8 | 4.34 | 1.07 | 0.693 | |
| GROVERlargeKernel=Gaussian2025.10 | 2.01 | 1.31 | 1.04 | 1 | 0.526 | |
| ChemBERTaKernel=Gaussian2025.10 | 1.52 | 6.3 | 1.39 | 1.01 | 0.665 | |
| SELFIES-TEDKernel=Gaussian2025.10 | 1.38 | 9.38 | 1.52 | 1.01 | 0.623 | |
| ECFP4Kernel=Gaussian2025.10 | 1.31 | 12.64 | 1.44 | 1 | 0.615 | |
| ECFP6Kernel=Dice2025.10 | 1.2 | 327.31 | 5.85 | 1.09 | 0.652 | |
| ECFP4Kernel=Laplacian2025.10 | 1.08 | 60.58 | 2.06 | 1 | 0.592 | |
| ECFP6Kernel=Gaussian2025.10 | 1 | 34.25 | 1.71 | 1 | 0.616 | |
| MLT-BERTKernel=Laplacian2025.10 | 0.98 | 607.97 | 15.14 | 1.86 | 0.87 | |
| ECFP4Kernel=Tanimoto2025.10 | 0.92 | 621.88 | 7.55 | 1.12 | 0.57 | |
| GROVERlargeKernel=Laplacian2025.10 | 0.91 | 2.4 | 1.11 | 1 | 0.552 | |
| GROVERbaseKernel=Laplacian2025.10 | 0.86 | 31.58 | 1.61 | 1.01 | 0.569 | |
| ECFP6Kernel=Laplacian2025.10 | 0.84 | 208.42 | 2.88 | 1.01 | 0.592 | |
| ECFP6Kernel=Tanimoto2025.10 | 0.79 | 988.46 | 10.52 | 1.16 | 0.579 | |
| SELFIES-TEDKernel=Laplacian2025.10 | 0.76 | 312.47 | 3.23 | 1.04 | 0.639 | |
| SELFormerKernel=Laplacian2025.10 | 0.65 | 297.63 | 3.46 | 1.03 | 0.765 | |
| ChemBERTaKernel=Laplacian2025.10 | 0.63 | 667.87 | 5.45 | 1.05 | 0.645 |