Table 1. The characteristics of fingerprints, with the abbreviations used in this work.
Fingerprint | Abbreviation | Length of fingerprint |
EState fingerprint [25] | estate | 79 |
Fingerprint [26] | fingerprint | 1024 |
Extended fingerprint [27] | extended | 1024 |
Graph only fingerprint [27] | graph only | 1024 |
Klekota Roth fingerprint [28] | KRFP | 4860 |
MACCS fingerprint [29] | maccs | 166 |
PubChem fingerprint [27] | pubchem | 881 |
Substructure fingerprint [27] | substructure | 308 |
All fingerprints were generated in PaDEL software [27].