Table 2.
Prediction accuracy for the second experiment with various ligand and target kernels
Ktar\Klig | 2D Tanimoto | 3D pharmacophore |
Dirac | 50.0 ± 0.0 | 50.0 ± 0.0 |
multitask | 56.8 ± 2.5 | 58.2 ± 2.2 |
hierarchy | 77.4 ± 2.4 | 76.2 ± 2.2 |
binding pocket | 78.1 ± 2.3 | 76.6 ± 2.2 |
poly binding pocket | 76.4 ± 2.4 | 74.9 ± 2.3 |