Skip to main content
. 2024 Apr 16;16:45. doi: 10.1186/s13321-024-00835-y

Table 5.

Hyperparameters chosen for training of the neural networks are shown here

Hyper parameter ECHA dataset CompFood dataset
EPOCHS 38 14
Learning rate 0.000844 0.0002409
Batch size 20 12
Rate decay 0.1 every 35 epochs
Weight decay 2.57e−7 0.000186
Feature size 28 4
Filter size 4 4
Weight class 0 0.65127 1.24926
Weight class 1 1.34672 1.1977
Final layer neurons 16 32