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File List
Here is a list of all documented files with brief descriptions:
cdk-1.2.10/src/main/net/sf/cdk/tools/MakeJavafilesFiles.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/bibtex/BibTeXMLEntry.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/bibtex/BibTeXMLFile.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/copyright/CheckCopyrightStatements.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/coverage/CheckModuleCoverage.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKBugTaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKCiteTaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKDictRefTaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKGitTaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKInChITaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKModuleTaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKThreadNonSafeTaglet.java [code]
cdk-1.2.10/src/main/net/sf/cdk/tools/doclets/CDKThreadSafeTaglet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/AminoAcid.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Association.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Atom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/AtomContainer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/AtomContainerSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/AtomParity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/AtomType.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/BioPolymer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Bond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/CDKConstants.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ChemFile.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ChemModel.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ChemObject.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ChemSequence.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ConformerContainer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Crystal.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/DefaultChemObjectBuilder.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ElectronContainer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Element.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/EnzymeResidueLocator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/FragmentAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/IImplementationSpecification.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Isotope.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/LonePair.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Mapping.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Molecule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/MoleculeSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Monomer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/PeriodicTableElement.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/PhysicalConstants.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Polymer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/PseudoAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Reaction.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ReactionScheme.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/ReactionSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Ring.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/RingSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/SingleElectron.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Strand.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/Vibration.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/annotations/TestClass.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/annotations/TestMethod.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/aromaticity/AromaticityCalculator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/aromaticity/CDKHueckelAromaticityDetector.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/EStateAtomTypeMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/IAtomTypeGuesser.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/IAtomTypeMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/MM2AtomTypeMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/MMFF94AtomTypeMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/StructGenAtomTypeGuesser.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/StructGenMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/SybylAtomTypeMatcher.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/atomtype/mapper/AtomTypeMapper.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/AtomTypeCharges.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/Electronegativity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/GasteigerMarsiliPartialCharges.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/GasteigerPEPEPartialCharges.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/IChargeCalculator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/IElectronicPropertyCalculator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/InductivePartialCharges.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/MMFF94PartialCharges.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/PiElectronegativity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/Polarizability.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/charges/StabilizationCharges.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/AtomTypeFactory.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/CDKBasedAtomTypeConfigurator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/ElementPTFactory.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/Elements.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/IAtomTypeConfigurator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/IsotopeFactory.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/OWLBasedAtomTypeConfigurator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/Symbols.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/TXTBasedAtomTypeConfigurator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/atomtypes/AtomTypeHandler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/atomtypes/AtomTypeReader.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/atomtypes/OWLAtomTypeHandler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/atomtypes/OWLAtomTypeMappingHandler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/atomtypes/OWLAtomTypeMappingReader.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/atomtypes/OWLAtomTypeReader.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/elements/ElementPTHandler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/elements/ElementPTReader.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/fragments/EStateFragments.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/isotopes/IsotopeHandler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/config/isotopes/IsotopeReader.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/controller/CDKPopupMenu.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/controller/IMouseEventRelay.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/controller/IViewEventRelay.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/controller/SwingEventRelay.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/controller/SwingMouseEventRelay.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/controller/UndoAdapter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAdductFormula.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAminoAcid.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAtomContainer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAtomContainerSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAtomParity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugAtomType.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugBioPolymer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugBond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugChemFile.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugChemModel.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugChemObject.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugChemObjectBuilder.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugChemSequence.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugCrystal.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugElectronContainer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugElement.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugFragmentAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugIsotope.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugLonePair.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugMapping.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugMolecularFormula.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugMolecularFormulaSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugMolecule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugMoleculeSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugMonomer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugPDBAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugPDBMonomer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugPDBPolymer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugPDBStructure.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugPolymer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugPseudoAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugReaction.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugReactionScheme.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugReactionSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugRing.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugRingSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugSingleElectron.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/debug/DebugStrand.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/CDKDictionaryReferences.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/Dictionary.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/DictionaryDatabase.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/DictionaryHandler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/DictRef.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/Entry.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/EntryReact.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/OWLFile.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/dict/OWLReact.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/event/ChemObjectChangeEvent.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/event/ICDKChangeListener.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/event/ICDKSelectionChangeListener.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/exception/CDKException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/exception/IncorrectUseOfCDKCoreClassError.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/exception/InvalidSmilesException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/exception/NoSuchAtomException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/exception/NoSuchAtomTypeException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/exception/UnsupportedChemObjectException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/EStateFingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/ExtendedFingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/Fingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/FingerprinterTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/GraphOnlyFingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/IFingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/MACCSFingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/StandardSubstructureSets.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/fingerprint/SubstructureFingerprinter.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/AdductFormula.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/IsotopeContainer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/IsotopePattern.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/IsotopePatternGenerator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/IsotopePatternManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/IsotopePatternSimilarity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/MassToFormulaTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/MolecularFormula.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/MolecularFormulaChecker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/MolecularFormulaRange.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/MolecularFormulaSet.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/ChargeRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/ElementRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/IRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/IsotopePatternRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/MMElementRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/NitrogenRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/RDBERule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/formula/rules/ToleranceRangeRule.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/AtomTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/BondTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/CrystalGeometryTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/GeometryTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/IRDFWeightFunction.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/Projector.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/RDFCalculator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/ZMatrixTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/alignment/KabschAlignment.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/surface/NeighborList.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/surface/NumericalSurface.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/surface/Tessellate.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/geometry/surface/Triangle.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/AtomContainerAtomPermutor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/AtomContainerBondPermutor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/AtomContainerPermutor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/BFSShortestPath.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/BiconnectivityInspector.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/ConnectivityChecker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/MinimalPathIterator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/MoleculeGraphs.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/PathTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/SpanningTree.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/CanonicalLabeler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/ConjugatedPiSystemsDetector.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/EquivalentClassPartitioner.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/GIMatrix.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/HuLuIndexTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/MorganNumbersTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/exception/BadMatrixFormatException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/exception/IndexOutOfBoundsException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/invariant/exception/MatrixNotInvertibleException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/matrix/AdjacencyMatrix.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/matrix/ConnectionMatrix.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/matrix/IGraphMatrix.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/matrix/TopologicalMatrix.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/rebond/Bspt.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/rebond/Point.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/graph/rebond/RebondTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/inchi/InChIGenerator.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/CovalentRadiusDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/DistanceToAtomDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/EffectiveAtomPolarizabilityDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/InductiveAtomicHardnessDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/InductiveAtomicSoftnessDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/IPAtomicHOSEDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/IPAtomicLearningDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/IsProtonInAromaticSystemDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/IsProtonInConjugatedPiSystemDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/PartialPiChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/PartialSigmaChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/PartialTChargeMMFF94Descriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/PartialTChargePEOEDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/PeriodicTablePositionDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/PiElectronegativityDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/ProtonAffinityHOSEDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/ProtonTotalPartialChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/RDFProtonDescriptor_G3R.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/RDFProtonDescriptor_GDR.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/RDFProtonDescriptor_GHR.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/RDFProtonDescriptor_GHR_topol.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/RDFProtonDescriptor_GSR.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/SigmaElectronegativityDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/StabilizationPlusChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atomic/VdWRadiusDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/atompair/PiContactDetectionDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/bond/AtomicNumberDifferenceDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/bond/BondPartialPiChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/bond/BondPartialSigmaChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/bond/BondPartialTChargeDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/bond/BondSigmaElectronegativityDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/bond/IPBondLearningDescriptor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/molecular/ALOGPDescriptor.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/molecular/IPMolecularLearningDescriptor.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/molecular/KierHallSmartsDescriptor.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/molecular/MDEDescriptor.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/molecular/RuleOfFiveDescriptor.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/descriptors/molecular/XLogPDescriptor.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/model/IModel.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/qsar/model/R/CNNClassificationModel.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTExplicitConnectivity.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTExplicitHighAndExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTGroup.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTHybrdizationNumber.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTImplicitHCount.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTImplicitHighAndBond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTImplicitHighAndExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTLowAndBond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTLowAndExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTNonCHHeavyAtom.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTNotBond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTNotExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTOrBond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTOrExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTPeriodicGroupNumber.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTPrimitiveAtomExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTReaction.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTRecursiveSmartsExpression.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTRingConnectivity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTRingIdentifier.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTRingMembership.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTSimpleBond.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTSmallestRingSize.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTSmarts.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTStart.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTTotalConnectivity.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTTotalHCount.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ASTValence.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/JJTSMARTSParserState.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/Node.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/ParseException.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SimpleCharStream.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SimpleNode.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SMARTSParser.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SMARTSParserConstants.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SMARTSParserTokenManager.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SMARTSParserTreeConstants.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/SMARTSParserVisitor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/Token.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/TokenMgrError.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/visitor/Smarts2MQLVisitor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/visitor/SmartsDumpVisitor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/smiles/smarts/parser/visitor/SmartsQueryVisitor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/IStructureGenerationListener.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/RandomGenerator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/SingleStructureRandomGenerator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/VicinitySampler.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/stochastic/PartialFilledStructureMerger.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/stochastic/operator/ChemGraph.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/structgen/stochastic/operator/CrossoverMachine.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/templates/AminoAcids.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/templates/MoleculeFactory.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/templates/saturatedhydrocarbons/IsoAlkanes.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/AtomicProperties.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/AtomTypeTools.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/BremserOneSphereHOSECodePredictor.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/CDKHydrogenAdder.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/CDKUtilities.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/CDKValencyChecker.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/tools/DataFeaturesTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/DeAromatizationTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/ElementComparator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/FixedSizeStack.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/FormatStringBuffer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/GenerateFragments.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/GridGenerator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/HOSECodeAnalyser.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/HOSECodeGenerator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/IDCreator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/IDeduceBondOrderTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/IonizationPotentialTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/IValencyChecker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/LoggingTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/LonePairElectronChecker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/Normalizer.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/PeriodicTable.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/ProteinBuilderTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/SaturationChecker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/SmilesValencyChecker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/StructureResonanceGenerator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/SwissArmyKnife.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/AtomContainerDiff.java [code]
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cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/AtomTypeDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/BondDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/ChemObjectDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/ElectronContainerDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/ElementDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/IsotopeDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/LonePairDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/SingleElectronDiff.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/AbstractDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/AbstractDifferenceList.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/AtomTypeHybridizationDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/BondOrderDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/BooleanArrayDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/BooleanDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/ChemObjectDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/DoubleDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/IDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/IDifferenceList.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/IntegerDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/Point2dDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/Point3dDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/diff/tree/StringDifference.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/features/MoleculeFeaturesTool.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/AminoAcidManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/AtomContainerComparator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/AtomContainerManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/AtomContainerSetManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/AtomTypeManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/BondManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/ChemFileManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/ChemModelManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/ChemSequenceManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/MolecularFormulaManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/MolecularFormulaRangeManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/MolecularFormulaSetManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/MoleculeSetManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/ReactionManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/ReactionSchemeManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/ReactionSetManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/RingManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/RingSetManipulator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/tools/manipulator/RingSizeComparator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/AbstractValidator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/BasicValidator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/CDKValidator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/DictionaryValidator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/Geometry3DValidator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/IValidator.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/ProblemMarker.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/ValidationReport.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/ValidationTest.java [code]
cdk-1.2.10/src/main/org/openscience/cdk/validate/ValidatorEngine.java [code]

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