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ECFPFeature
- Class in
fingerprinters.topological.features
ECFPFeature(int, IAtom, IMolecule, DanglingBond[], int)
- Constructor for class fingerprinters.topological.features.
ECFPFeature
Encoding2D
- Class in
fingerprinters.topological
Encoding2D()
- Constructor for class fingerprinters.topological.
Encoding2D
Encoding2D.PathFeature
- Class in
fingerprinters.topological
Encoding2D.PathFeature(List<IAtom>, IAtomContainer)
- Constructor for class fingerprinters.topological.
Encoding2D.PathFeature
Encoding2DAllPaths
- Class in
fingerprinters.topological
Encoding2DAllPaths()
- Constructor for class fingerprinters.topological.
Encoding2DAllPaths
Encoding2DAllShortestPath
- Class in
fingerprinters.topological
Encoding2DAllShortestPath()
- Constructor for class fingerprinters.topological.
Encoding2DAllShortestPath
Encoding2DAtomPair
- Class in
fingerprinters.topological
Encoding2DAtomPair()
- Constructor for class fingerprinters.topological.
Encoding2DAtomPair
Encoding2DAtomTriple
- Class in
fingerprinters.topological
Encoding2DAtomTriple()
- Constructor for class fingerprinters.topological.
Encoding2DAtomTriple
Encoding2DCATS
- Class in
fingerprinters.topological
Encoding2DCATS()
- Constructor for class fingerprinters.topological.
Encoding2DCATS
Encoding2DExtendedConnectivity
- Class in
fingerprinters.topological
Encoding2DExtendedConnectivity()
- Constructor for class fingerprinters.topological.
Encoding2DExtendedConnectivity
Encoding2DLocalAtomEnvironment
- Class in
fingerprinters.topological
Encoding2DLocalAtomEnvironment()
- Constructor for class fingerprinters.topological.
Encoding2DLocalAtomEnvironment
Encoding2DMolprint
- Class in
fingerprinters.topological
Encoding2DMolprint()
- Constructor for class fingerprinters.topological.
Encoding2DMolprint
Encoding2DPharmacophore2Point
- Class in
fingerprinters.topological
Encoding2DPharmacophore2Point()
- Constructor for class fingerprinters.topological.
Encoding2DPharmacophore2Point
Encoding2DPharmacophore3Point
- Class in
fingerprinters.topological
Encoding2DPharmacophore3Point()
- Constructor for class fingerprinters.topological.
Encoding2DPharmacophore3Point
Encoding2DSHEDKey
- Class in
fingerprinters.topological
Encoding2DSHEDKey()
- Constructor for class fingerprinters.topological.
Encoding2DSHEDKey
Encoding3D
- Class in
fingerprinters.geometrical
Encoding3D()
- Constructor for class fingerprinters.geometrical.
Encoding3D
Encoding3DAtomPair
- Class in
fingerprinters.geometrical
Encoding3DAtomPair()
- Constructor for class fingerprinters.geometrical.
Encoding3DAtomPair
Encoding3DAtomTriple
- Class in
fingerprinters.geometrical
Encoding3DAtomTriple()
- Constructor for class fingerprinters.geometrical.
Encoding3DAtomTriple
Encoding3DCATS
- Class in
fingerprinters.geometrical
Encoding3DCATS()
- Constructor for class fingerprinters.geometrical.
Encoding3DCATS
Encoding3DMolprint
- Class in
fingerprinters.geometrical
Encoding3DMolprint()
- Constructor for class fingerprinters.geometrical.
Encoding3DMolprint
Encoding3DPharmacophore2Point
- Class in
fingerprinters.geometrical
Encoding3DPharmacophore2Point()
- Constructor for class fingerprinters.geometrical.
Encoding3DPharmacophore2Point
Encoding3DPharmacophore3Point
- Class in
fingerprinters.geometrical
Encoding3DPharmacophore3Point()
- Constructor for class fingerprinters.geometrical.
Encoding3DPharmacophore3Point
EncodingFingerprint
- Class in
fingerprinters
EncodingFingerprint()
- Constructor for class fingerprinters.
EncodingFingerprint
ensureSlash(String)
- Static method in class tools.progressbar.
Utils
Ensures that path ends with a slash (for folder processing).
EnumerationsAtomTypes
- Class in
tools.moltyping.enumerations
EnumerationsAtomTypes()
- Constructor for class tools.moltyping.enumerations.
EnumerationsAtomTypes
EnumerationsAtomTypes.AtomLabelType
- Enum in
tools.moltyping.enumerations
EnumerationsBondType
- Class in
tools.moltyping.enumerations
EnumerationsBondType()
- Constructor for class tools.moltyping.enumerations.
EnumerationsBondType
EnumerationsBondType.BondLabelType
- Enum in
tools.moltyping.enumerations
EnumerationsDistanceType
- Class in
tools.moltyping.enumerations
EnumerationsDistanceType()
- Constructor for class tools.moltyping.enumerations.
EnumerationsDistanceType
EnumerationsDistanceType.DistanceMeasure
- Enum in
tools.moltyping.enumerations
equals(Object)
- Method in interface fingerprinters.features.
IFeature
equals(Object)
- Method in class fingerprinters.features.
NumericStringFeature
equals(Object)
- Method in class fingerprinters.topological.features.
ECFPFeature
equals(Object)
- Method in class tools.moltyping.pharmacophore.
PotentialPharmacophorePoint
equals(Object)
- Method in class tools.moltyping.pharmacophore.
PotentialPharmacophorePointPair
errorMessage()
- Method in exception fingerprinters.
FingerPrinterException
executable
- package executable
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in class io.writer.
ExporterBenchmark
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in class io.writer.
ExporterFullFingerprintCSV
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in class io.writer.
ExporterHashLinear
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in class io.writer.
ExporterKeyWeka
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in class io.writer.
ExporterLIBSVMMatrix
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in class io.writer.
ExporterSparseString
export(RandomAccessMDLReader, EncodingFingerprint, String, File)
- Method in interface io.writer.
IExporter
ExporterBenchmark
- Class in
io.writer
ExporterBenchmark()
- Constructor for class io.writer.
ExporterBenchmark
ExporterFactory
- Class in
io.writer
ExporterFactory()
- Constructor for class io.writer.
ExporterFactory
ExporterFactory.ExporterType
- Enum in
io.writer
ExporterFullFingerprintCSV
- Class in
io.writer
ExporterFullFingerprintCSV()
- Constructor for class io.writer.
ExporterFullFingerprintCSV
ExporterFullFingerprintCSV(int)
- Constructor for class io.writer.
ExporterFullFingerprintCSV
ExporterHashLinear
- Class in
io.writer
ExporterHashLinear()
- Constructor for class io.writer.
ExporterHashLinear
ExporterHashLinear(int)
- Constructor for class io.writer.
ExporterHashLinear
ExporterHashWeka
- Class in
io.writer
ExporterHashWeka()
- Constructor for class io.writer.
ExporterHashWeka
ExporterHashWeka(int)
- Constructor for class io.writer.
ExporterHashWeka
ExporterHelper
- Class in
io.writer
ExporterHelper()
- Constructor for class io.writer.
ExporterHelper
ExporterKeyWeka
- Class in
io.writer
ExporterKeyWeka()
- Constructor for class io.writer.
ExporterKeyWeka
ExporterLIBSVMMatrix
- Class in
io.writer
ExporterLIBSVMMatrix()
- Constructor for class io.writer.
ExporterLIBSVMMatrix
ExporterLIBSVMSparse
- Class in
io.writer
ExporterLIBSVMSparse()
- Constructor for class io.writer.
ExporterLIBSVMSparse
ExporterLIBSVMSparse(int)
- Constructor for class io.writer.
ExporterLIBSVMSparse
ExporterLinear
- Class in
io.writer
ExporterLinear()
- Constructor for class io.writer.
ExporterLinear
ExporterSparseString
- Class in
io.writer
ExporterSparseString()
- Constructor for class io.writer.
ExporterSparseString
ExporterSparseString(int)
- Constructor for class io.writer.
ExporterSparseString
ExtendedAtomAndBondTyper
- Class in
tools.moltyping
ExtendedAtomAndBondTyper(EnumerationsAtomTypes.AtomLabelType)
- Constructor for class tools.moltyping.
ExtendedAtomAndBondTyper
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