After the DEL selection dataset was assigned binary labels, the chemical structures were converted to nine diderent chemical fingerprints: Extended Connectivity Fingerprints (ECFP) both radius 2 and 3 , Feature Extended Connectivity Fingerprints (FCFP) both radius 2 and 3 , Atom Pair fingerprints (AtomPair) , Topological Torsion fingerprints (TopTor) , RDKit fingerprints (RDK) , Avalon fingerprints and MACCS keys . Both count and binary versions of each fingerprint (excluding MACCS keys) were generated.