Table 2 Confusion matrix of our final model.

From: Class imbalance learning with Bayesian optimization applied in drug discovery

Predicted

Actual

Non-antibacterial

Antibacterial

Non-antibacterial

221

0

Antibacterial

5

7

  1. This confusion matrix is based on testing set of our final model, molecules with prediction score above 0.5 were regarded as predicted antibacterials.