Table 1 Key to fingerprint abbreviations used
From: Comparing structural fingerprints using a literature-based similarity benchmark
Abbreviation | Fingerprint description | Class |
|---|---|---|
AP | Atom pair | Path-based |
Avalon | Developed for substructure screen-out when searching | Substructure keys |
ECFC0 | Count vector form of ECFP0 | Circular |
ECFC2 | Count vector form of ECFP2 | Circular |
ECFC4 | Count vector form of ECFP4 | Circular |
ECFC6 | Count vector form of ECFP6 | Circular |
ECFP0 | Extended-connectivity fingerprint of diameter 0 | Circular |
ECFP2 | Extended-connectivity fingerprint of diameter 2 | Circular |
ECFP4 | Extended-connectivity fingerprint of diameter 4 | Circular |
ECFP6 | Extended-connectivity fingerprint of diameter 6 | Circular |
FCFC2 | Count vector form of FCFP2 | Circular |
FCFC4 | Count vector form of FCFP4 | Circular |
FCFC6 | Count vector form of FCFP6 | Circular |
FCFP2 | Feature-class fingerprint of diameter 2 | Circular |
FCFP4 | Feature-class fingerprint of diameter 4 | Circular |
FCFP6 | Feature-class fingerprint of diameter 6 | Circular |
HashAP | Bit vector form of AP | Path-based |
HashTT | Bit vector form of TT | Path-based |
LAvalon | 16384-bit form of Avalon | Substructure keys |
LECFP4 | 16384-bit form of ECFP4 | Circular |
LECFP6 | 16384-bit form of ECFP6 | Circular |
LFCFP4 | 16384-bit form of FCFP4 | Circular |
LFCFP6 | 16384-bit form of FCFP6 | Circular |
MACCS | Molecular ACCess System structural keys | Substructure keys |
RDK5 | Encodes paths of maximum length 5 | Path-based |
RDK6 | Encodes paths of maximum length 6 | Path-based |
RDK7 | Encodes paths of maximum length 7 | Path-based |
TT | Topological torsion fingerprint | Path-based |