We built a consensus model by combining the predictions of the best performing models showing the lower relation among their predictions. For that, we performed a hierarchical clustering with average linkage of the models relying on Morgan and RDK fingerprints (the best performing fingerprints), being described by their cross-validated predictions across all targets. As the distance metric for the construction of the hierarchical clustering, we selected de Jaccard distance defined in the Data Modelability section, where in this case J (A, B)