Table 1 Hyperparameters to be tested for (a) RF and (b) ANN.

From: Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay

(a) Random forest

(b) Artificial neural networks

Hyperparameter

Value tested

Hyperparameter

Value tested

n estimators

30, 50, 70, 90

Number of hidden layers

1, 2, 3

Max depth

8, 9, 10, 11, 12

Number of neurons

2, 3, 4, 5, 6, 7, 8

Min samples split

1, 2, 3

Learning rate

0.01, 0.05, 0.1

Min samples leaf

1, 2, 3

Batch size

1, 3, 7