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Table 4 Hyperparameter tuning results and model performance from the 3 × 3 nested CV method

From: Interpreting drug synergy in breast cancer with deep learning using target-protein inhibition profiles

Model

The best parameters of the first hidden layer

The best parameters of the second hidden layer

The best parameters of the third hidden layer

Correlation coefficient on the test dataset

Mean squared error (MSE) on the test dataset

1

tanh; 512 nodes

ReLU; 256 nodes

ReLU; 512 nodes

0.63

0.7

2

tanh; 512 nodes

ReLU; 256 nodes

ReLU; 512 nodes

0.61

0.7

3

tanh; 512 nodes

ReLU; 512 nodes

ReLU; 128 nodes

0.62

0.62