Employing the software KNIME version 4.7.1, with the RDKit nodes, six physicochemical properties of pharmaceutical interest were calculated: SlogP , MW, TPSA , Rb, HBA, HBD. Violin plots were constructed to summarize the distribution of each property individually. In each violin plot we highlighted the limit of drug-like rules of thumb (Table ). To generate a visual representation of the chemical space of the compound libraries based on the six properties, we reduced the data dimensionality to two dimensions employing PCA and t-SNE with the python module Scikit-learn version 1.2.2 . PCA: principal component