Fingerptints, Fingerprints!
02 April 2013
We now have support for 10 different fingerprints with all addional options. So you can specify the number of bits or the used path length.
Available are:
- Open Babel FP2 fingerprints
- Open Babel FP3 fingerprints
- Open Babel FP4 fingerprints
- Open Babel MACCS fingerprints
- RDKit topological fingerprint
- RDKit topological Torsion fingerprints
- RDKit Morgan fingerprints
- RDKit Atom Pair fingerprints
- RDKit MACCS fingerprints
- RDKit substructure fingerprints
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