Chemical Fingerprints¶
Chemaxon fingerprints¶
- Extended Connectivity Fingerprint ECFP
- Chemical Hashed Fingerprint
- Pharmacophore Fingerprint PF
- Reaction Fingerprint (RF)
- MACCS-166 Fingerprint
Fingerprint and descriptor generation with Chemaxon tools¶
- Fingerprint and descriptor generation - GenerateMD command line tool
- Pharmacophore perception - PMapper command line tool