Table 2 Hyperparameters used in the substructure prediction experiment
From: Investigation of the structure-odor relationship using a Transformer model
Setting 1 | Setting 2 | Setting 3 | Setting 4 | |
|---|---|---|---|---|
Number of heads | 12 | 12 | 12 | 12 |
Dimension of a single head | 15 | 15 | 15 | 15 |
Number of encoder layers | 6 | 6 | 6 | 6 |
Number of decoder layers | 1 | 2 | 3 | 4 |
Average F1 value | 0.985 | 0.970 | 0.976 | 0.966 |