Uses of Interface
org.openscience.cdk.fingerprint.ICountFingerprint
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Packages that use ICountFingerprint Package Description org.openscience.cdk.fingerprint org.openscience.cdk.similarity -
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Uses of ICountFingerprint in org.openscience.cdk.fingerprint
Classes in org.openscience.cdk.fingerprint that implement ICountFingerprint Modifier and Type Class Description class
IntArrayCountFingerprint
Methods in org.openscience.cdk.fingerprint that return ICountFingerprint Modifier and Type Method Description ICountFingerprint
AtomPairs2DFingerprinter. getCountFingerprint(IAtomContainer mol)
ICountFingerprint
CircularFingerprinter. getCountFingerprint(IAtomContainer mol)
Calculates the circular fingerprint for the givenIAtomContainer
, and returns a datastructure that enumerates all of the fingerprints, and their counts (i.e.ICountFingerprint
EStateFingerprinter. getCountFingerprint(IAtomContainer container)
Returns the count fingerprint for the givenIAtomContainer
.ICountFingerprint
ExtendedFingerprinter. getCountFingerprint(IAtomContainer container)
Returns the count fingerprint for the givenIAtomContainer
.ICountFingerprint
Fingerprinter. getCountFingerprint(IAtomContainer container)
ICountFingerprint
IFingerprinter. getCountFingerprint(IAtomContainer container)
Returns the count fingerprint for the givenIAtomContainer
.ICountFingerprint
LingoFingerprinter. getCountFingerprint(IAtomContainer container)
ICountFingerprint
MACCSFingerprinter. getCountFingerprint(IAtomContainer container)
Returns the count fingerprint for the givenIAtomContainer
.ICountFingerprint
PubchemFingerprinter. getCountFingerprint(IAtomContainer container)
Returns the count fingerprint for the givenIAtomContainer
.ICountFingerprint
ShortestPathFingerprinter. getCountFingerprint(IAtomContainer iac)
ICountFingerprint
SignatureFingerprinter. getCountFingerprint(IAtomContainer container)
ICountFingerprint
SubstructureFingerprinter. getCountFingerprint(IAtomContainer atomContainer)
Returns the count fingerprint for the givenIAtomContainer
.static ICountFingerprint
FingerprinterTool. makeCountFingerprint(Map<String,Integer> features)
Wrap a mapping of features and their counts to a continuous (count based) fingerprint.Methods in org.openscience.cdk.fingerprint with parameters of type ICountFingerprint Modifier and Type Method Description void
ICountFingerprint. merge(ICountFingerprint fp)
Merge all fromfp
into the current fingerprint.void
IntArrayCountFingerprint. merge(ICountFingerprint fp)
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Uses of ICountFingerprint in org.openscience.cdk.similarity
Methods in org.openscience.cdk.similarity with parameters of type ICountFingerprint Modifier and Type Method Description static double
Tanimoto. calculate(ICountFingerprint fp1, ICountFingerprint fp2)
Evaluate continuous Tanimoto coefficient for two feature, count fingerprint representations.static double
Tanimoto. method1(ICountFingerprint fp1, ICountFingerprint fp2)
Calculates Tanimoto distance for two count fingerprints using method 1.static double
Tanimoto. method2(ICountFingerprint fp1, ICountFingerprint fp2)
Calculates Tanimoto distance for two count fingerprints using method 2 [J.A. Grant, J.A. Haigh, B.T. Pickup, A. Nicholls and R.A. Sayle. J. Chem. Inf. Model.. 2006. 46].
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