The process (Figure .1) begins with the File Reader node, the Molecule Type Cast, and RDKit From Molecule nodes. Then the fingerprints node allows the user the selection of different fingerprints to be calculated, including MACCS keys (166 bits), PubChem fingerprints and ECFP (Extended connectivity fingerprints of diameter up to 6). For BIOFACQUIM, MACCS keys (166-bits) were calculated, and all these bits were appended in a new row known as fingerprints by the Table Writer node.