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	Description
class	AbstractFingerprinter
class	AtomPairs2DFingerprinter	Generates an atom pair 2D fingerprint as implemented in PaDEL given an IAtomContainer, that extends the Fingerprinter.
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 (25) bits describing ring features and isotopic masses.
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.. Bioinformatics. 2008. 24].
class	LingoFingerprinter	An implementation of the LINGO fingerprint [Vidal, D. et. al.. J. Chem. Inf. Model.. 2005. 45].
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.