Table 1.
Prediction accuracy for the first experiment with various ligand and target kernels
| Ktar\Klig | 2D Tanimoto | 3D pharmacophore |
| Dirac | 86.2 ± 1.9 | 84.4 ± 2.0 |
| multitask | 88.8 ± 1.9 | 85.0 ± 2.3 |
| hierarchy | 93.1 ± 1.3 | 88.5 ± 2.0 |
| binding pocket | 90.3 ± 1.9 | 87.1 ± 2.3 |
| poly binding pocket | 92.1 ± 1.5 | 87.4 ± 2.2 |