A summary of performance metrics of each model can be seen on Table . are not conclusive on which one performs better. In terms of AUC, the best performance is from a logistic regression model and in terms of BEDROC, a deep learning model. In general, the best algorithm depends of the cross-validation strategy and the compound representation, but there is a tendency of logistic regression being better for the SMILES representation of the compound, and deep learning for the fingerprints representation.