Uses of Class
Uses of AbstractFingerprinter in org.openscience.cdk.fingerprintModifier and TypeClassDescription
classGenerates an atom pair 2D fingerprint as implemented in PaDEL given an
IAtomContainer, that extends the
classCircular fingerprints: for generating fingerprints that are functionally equivalent to ECFP-2/4/6 and FCFP-2/4/6 fingerprints, which are partially described by Rogers et al.
classThis fingerprinter generates 79 bit fingerprints using the E-State fragments.
classGenerates a fingerprint for a given AtomContainer.
classSpecialized version of the
Fingerprinterwhich does not take bond orders into account.
classSMARTS based substructure fingerprint based on Chemical substructures that enrich for biological activity [Klekota, Justin and Roth, Frederick P.. Bioinformatics. 2008. 24].
classAn implementation of the LINGO fingerprint [Vidal, D. et. al.. J. Chem. Inf. Model.. 2005. 45].
classThis fingerprinter generates 166 bit MACCS keys.
classGenerates a Pubchem fingerprint for a molecule.
classAn implementation of a
IFingerprinterthat gives a bit set which has a size equal to the number of substructures it was constructed from.