Uses of Interface
org.openscience.cdk.fingerprint.IFingerprinter

Packages that use IFingerprinter

Package	Description
org.openscience.cdk.fingerprint

Uses of IFingerprinter in org.openscience.cdk.fingerprint

Classes in org.openscience.cdk.fingerprint that implement IFingerprinter

Modifier and Type	Class and Description
class	AbstractFingerprinter
class	CircularFingerprinter Circular 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.
class	EStateFingerprinter This fingerprinter generates 79 bit fingerprints using the E-State fragments.
class	ExtendedFingerprinter Generates an extended fingerprint for a given IAtomContainer, that extends the Fingerprinter with additional bits describing ring features.
class	Fingerprinter Generates a fingerprint for a given AtomContainer.
class	GraphOnlyFingerprinter Specialized version of the Fingerprinter which does not take bond orders into account.
class	HybridizationFingerprinter Generates a fingerprint for a given IAtomContainer.
class	KlekotaRothFingerprinter SMARTS based substructure fingerprint based on Chemical substructures that enrich for biological activity [Klekota, Justin and Roth, Frederick P., Chemical substructures that enrich for biological activity, Bioinformatics, 2008, 24:2518-2525, doi:10.1093/bioinformatics/btn479].
class	LingoFingerprinter An implementation of the LINGO fingerprint [Vidal, D. and Thormann, M. and Pons, M., LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities, J. Chem. Inf. Model., 2005, 45:386-393, doi:10.1021/ci0496797].
class	MACCSFingerprinter This fingerprinter generates 166 bit MACCS keys.
class	PubchemFingerprinter Generates a Pubchem fingerprint for a molecule.
class	ShortestPathFingerprinter Generates a fingerprint for a given IAtomContainer.
class	SignatureFingerprinter An implementation of a AtomSignature-based fingerprint.
class	SubstructureFingerprinter IFingerprinter that gives a bit set which has a size equal to the number of substructures it was constructed from.