Method | Type |
---|---|
ECFP0 | Circular fingerprint |
ECFP2 | Circular fingerprint |
ECFP4 | Circular fingerprint |
ECFP6 | Circular fingerprint |
FCFP0 | Circular fingerprint |
FCFP2 | Circular fingerprint |
FCFP4 | Circular fingerprint |
FCFP6 | Circular fingerprint |
MACCS | Substructure keys-based fingerprint |
PubChem | Substructure keys-based fingerprint |
E-State | Substructure keys-based fingerprint |
Klekota–Roth | Substructure keys-based fingerprint |
CDK (default) | Topological fingerprint |
CDK (extended) | Topological fingerprint |
CDK (hybridization) | Topological fingerprint |
CDK (graph-only) | Topological fingerprint |
LINGO | Lexicographic fingerprint |
GRAPE/GARLIC | Retrobiosynthesis and alignment |