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C
CachingTargetsMatcher
(in
rdkit.Chem.fmcs.fmcs'
)
CherkasskyRiskBound()
(in
rdkit.ML.SLT.Risk
)
colorBonds
(in
DrawingOptions
)
CactvsImageTransformer
(in
rdkit.Dbase.DbReport
)
chgBins
(in
rdkit.Chem.MolSurf
)
CombiEnum()
(in
rdkit.Chem.Pharm3D.EmbedLib
)
cairoCanvas
(in
rdkit.Chem.Draw
)
Chi0()
(in
rdkit.Chem.GraphDescriptors
)
CombineFeatMaps()
(in
rdkit.Chem.FeatMaps.FeatMapUtils
)
calcAtomGaussians()
(in
rdkit.Chem.Draw
)
Chi0n()
(in
rdkit.Chem.GraphDescriptors
)
CombineMols()
(in
rdkit.Chem.rdmolops
)
CalcAUC()
(in
rdkit.ML.Scoring.Scoring
)
Chi0v()
(in
rdkit.Chem.GraphDescriptors
)
CombineSubshapes()
(in
SubshapeBuilder
)
CalcBEDROC()
(in
rdkit.ML.Scoring.Scoring
)
Chi1()
(in
rdkit.Chem.GraphDescriptors
)
Commit()
(in
DbConnect
)
CalcChi0n()
(in
rdkit.Chem.rdMolDescriptors
)
Chi1n()
(in
rdkit.Chem.GraphDescriptors
)
Compare()
(in
Cluster
)
CalcChi0v()
(in
rdkit.Chem.rdMolDescriptors
)
Chi1v()
(in
rdkit.Chem.GraphDescriptors
)
compare_shortcuts
(in
rdkit.Chem.fmcs
)
CalcChi1n()
(in
rdkit.Chem.rdMolDescriptors
)
Chi2n()
(in
rdkit.Chem.GraphDescriptors
)
compare_shortcuts
(in
rdkit.Chem.fmcs.fmcs'
)
CalcChi1v()
(in
rdkit.Chem.rdMolDescriptors
)
Chi2v()
(in
rdkit.Chem.GraphDescriptors
)
CompareAny
(in
AtomCompare
)
CalcChi2n()
(in
rdkit.Chem.rdMolDescriptors
)
Chi3n()
(in
rdkit.Chem.GraphDescriptors
)
CompareAny
(in
BondCompare
)
CalcChi2v()
(in
rdkit.Chem.rdMolDescriptors
)
Chi3v()
(in
rdkit.Chem.GraphDescriptors
)
CompareElements
(in
AtomCompare
)
CalcChi3n()
(in
rdkit.Chem.rdMolDescriptors
)
Chi4n()
(in
rdkit.Chem.GraphDescriptors
)
CompareIsotopes
(in
AtomCompare
)
CalcChi3v()
(in
rdkit.Chem.rdMolDescriptors
)
Chi4v()
(in
rdkit.Chem.GraphDescriptors
)
CompareOrder
(in
BondCompare
)
CalcChi4n()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_OTHER
(in
rdkit.Chem.AllChem
)
CompareOrderExact
(in
BondCompare
)
CalcChi4v()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_OTHER
(in
rdkit.Chem
)
CompareParams()
(in
UniformGrid3D_
)
CalcChiNn()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_OTHER
(in
rdkit.Chem.rdchem
)
compats
(in
rdkit.Chem.BRICS
)
CalcChiNv()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_OTHER
(in
ChiralType
)
completeRingsOnly
(in
Default
)
CalcCompoundDescriptorsForComposition()
(in
CompoundDescriptorCalculator
)
CHI_TETRAHEDRAL_CCW
(in
rdkit.Chem.AllChem
)
Composite
(in
rdkit.ML
)
CalcCrippenDescriptors()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_TETRAHEDRAL_CCW
(in
rdkit.Chem
)
Composite
(in
rdkit.ML.Composite
)
CalcDescriptors()
(in
DescriptorCalculator
)
CHI_TETRAHEDRAL_CCW
(in
rdkit.Chem.rdchem
)
Composite
(in
rdkit.ML.Composite.Composite
)
CalcDescriptors()
(in
MolecularDescriptorCalculator
)
CHI_TETRAHEDRAL_CCW
(in
ChiralType
)
COMPOSITE_AND
(in
rdkit.Chem.AllChem
)
CalcDescriptorsForComposition()
(in
CompoundDescriptorCalculator
)
CHI_TETRAHEDRAL_CW
(in
rdkit.Chem.AllChem
)
COMPOSITE_AND
(in
rdkit.Chem
)
CalcEnergy()
(in
ForceField
)
CHI_TETRAHEDRAL_CW
(in
rdkit.Chem
)
COMPOSITE_AND
(in
rdkit.Chem.rdchem
)
CalcEnrichment()
(in
rdkit.ML.Scoring.Scoring
)
CHI_TETRAHEDRAL_CW
(in
rdkit.Chem.rdchem
)
COMPOSITE_AND
(in
CompositeQueryType
)
CalcEnrichment()
(in
rdkit.ML.ScreenComposite
)
CHI_TETRAHEDRAL_CW
(in
ChiralType
)
COMPOSITE_OR
(in
rdkit.Chem.AllChem
)
CalcExactMolWt()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_UNSPECIFIED
(in
rdkit.Chem.AllChem
)
COMPOSITE_OR
(in
rdkit.Chem
)
CalcFractionCSP3()
(in
rdkit.Chem.rdMolDescriptors
)
CHI_UNSPECIFIED
(in
rdkit.Chem
)
COMPOSITE_OR
(in
rdkit.Chem.rdchem
)
CalcGains()
(in
rdkit.Chem.BuildFragmentCatalog
)
CHI_UNSPECIFIED
(in
rdkit.Chem.rdchem
)
COMPOSITE_OR
(in
CompositeQueryType
)
CalcGainsFromFps()
(in
rdkit.Chem.BuildFragmentCatalog
)
CHI_UNSPECIFIED
(in
ChiralType
)
COMPOSITE_XOR
(in
rdkit.Chem.AllChem
)
CalcHallKierAlpha()
(in
rdkit.Chem.rdMolDescriptors
)
children
(in
FGHierarchyNode
)
COMPOSITE_XOR
(in
rdkit.Chem
)
CalcInfoGains()
(in
rdkit.ML.InfoTheory.BitRank
)
children
(in
RecapHierarchyNode
)
COMPOSITE_XOR
(in
rdkit.Chem.rdchem
)
CalcKappa1()
(in
rdkit.Chem.rdMolDescriptors
)
ChiNn_()
(in
rdkit.Chem.GraphDescriptors
)
COMPOSITE_XOR
(in
CompositeQueryType
)
CalcKappa2()
(in
rdkit.Chem.rdMolDescriptors
)
ChiNv_()
(in
rdkit.Chem.GraphDescriptors
)
CompositeQueryType
(in
rdkit.Chem.rdchem
)
CalcKappa3()
(in
rdkit.Chem.rdMolDescriptors
)
CHIRAL_POS
(in
rdkit.Chem.MolKey.MolKey
)
CompositeRun
(in
rdkit.ML
)
CalcLabuteASA()
(in
rdkit.Chem.rdMolDescriptors
)
ChiralType
(in
rdkit.Chem.rdchem
)
CompositeRun
(in
rdkit.ML.CompositeRun
)
CalcMetricMatrix()
(in
rdkit.ML.Cluster.Resemblance
)
CHISQUARE
(in
rdkit.ML.InfoTheory
)
CompositeToBayesComposite()
(in
rdkit.ML.Composite.BayesComposite
)
CalcMolFormula()
(in
rdkit.Chem.rdMolDescriptors
)
CHISQUARE
(in
rdkit.ML.InfoTheory.rdInfoTheory
)
Compound
(in
rdkit.Chem.MolDb.Loader_sa
)
CalcMultipleCompoundsDescriptor()
(in
rdkit.ML.Descriptors.Parser
)
CHISQUARE
(in
InfoType
)
CompoundDescriptorCalculator
(in
rdkit.ML.Descriptors.CompoundDescriptors
)
CalcNPossibleUsingMap()
(in
rdkit.ML.Data.DataUtils
)
ChiSquare()
(in
rdkit.ML.InfoTheory.rdInfoTheory
)
CompoundDescriptors
(in
rdkit.ML.Descriptors
)
CalcNumAliphaticCarbocycles()
(in
rdkit.Chem.rdMolDescriptors
)
ChooseOptimalRoot()
(in
rdkit.ML.DecTree.CrossValidate
)
Compute2DCoords()
(in
rdkit.Chem.rdDepictor
)
CalcNumAliphaticHeterocycles()
(in
rdkit.Chem.rdMolDescriptors
)
circColor
(in
VisOpts
)
Compute2DCoordsForReaction()
(in
rdkit.Chem.rdChemReactions
)
CalcNumAliphaticRings()
(in
rdkit.Chem.rdMolDescriptors
)
circColor
(in
VisOpts
)
Compute2DCoordsMimicDistmat()
(in
rdkit.Chem.rdDepictor
)
CalcNumAmideBonds()
(in
rdkit.Chem.rdMolDescriptors
)
circleAtoms
(in
MolDrawOptions
)
compute_fraggle_similarity_for_subs()
(in
rdkit.Chem.Fraggle.FraggleSim
)
CalcNumAromaticCarbocycles()
(in
rdkit.Chem.rdMolDescriptors
)
circRad
(in
VisOpts
)
compute_mcs()
(in
rdkit.Chem.fmcs.fmcs'
)
CalcNumAromaticHeterocycles()
(in
rdkit.Chem.rdMolDescriptors
)
circRad
(in
VisOpts
)
ComputeCanonicalTransform()
(in
rdkit.Chem.rdMolTransforms
)
CalcNumAromaticRings()
(in
rdkit.Chem.rdMolDescriptors
)
ClassificationError
(in
rdkit.ML.ModelPackage.Packager
)
ComputeCentroid()
(in
rdkit.Chem.rdMolTransforms
)
CalcNumBridgeheadAtoms()
(in
rdkit.Chem.rdMolDescriptors
)
ClassificationModel
(in
rdkit.ML.NaiveBayes
)
ComputeChiralVolume()
(in
rdkit.Chem.Pharm3D.EmbedLib
)
CalcNumHBA()
(in
rdkit.Chem.rdMolDescriptors
)
Classify()
(in
ModelPackage
)
ComputeConfBox()
(in
rdkit.Chem.rdShapeHelpers
)
CalcNumHBD()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
BayesComposite
)
ComputeConfDimsAndOffset()
(in
rdkit.Chem.rdShapeHelpers
)
CalcNumHeteroatoms()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
Composite
)
ComputeDihedralAngle()
(in
rdkit.Geometry.rdGeometry
)
CalcNumHeterocycles()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
DecTreeNode
)
ComputeGasteigerCharges()
(in
rdkit.Chem.rdPartialCharges
)
CalcNumLipinskiHBA()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
Forest
)
ComputeGridCentroid()
(in
rdkit.Geometry.rdGeometry
)
CalcNumLipinskiHBD()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
QuantTreeNode
)
ComputeGridIndices()
(in
rdkit.Chem.Subshape.BuilderUtils
)
CalcNumRings()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
SigTreeNode
)
ComputeL1Norm()
(in
rdkit.DataStructs.cDataStructs
)
CalcNumRotatableBonds()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
KNNClassificationModel
)
ComputeMolShape()
(in
rdkit.Chem.AllChem
)
CalcNumSaturatedCarbocycles()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
NaiveBayesClassifier
)
ComputeMolVolume()
(in
rdkit.Chem.AllChem
)
CalcNumSaturatedHeterocycles()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExample()
(in
Network
)
ComputeShapeGridCentroid()
(in
rdkit.Chem.Subshape.BuilderUtils
)
CalcNumSaturatedRings()
(in
rdkit.Chem.rdMolDescriptors
)
ClassifyExamples()
(in
NaiveBayesClassifier
)
ComputeSignedDihedralAngle()
(in
rdkit.Geometry.rdGeometry
)
CalcNumSpiroAtoms()
(in
rdkit.Chem.rdMolDescriptors
)
Cleanup()
(in
rdkit.Chem.rdmolops
)
ComputeUnionBox()
(in
rdkit.Chem.rdShapeHelpers
)
CalcRIE()
(in
rdkit.ML.Scoring.Scoring
)
clearBackground
(in
MolDrawOptions
)
Conformer
(in
rdkit.Chem.rdchem
)
CalcROC()
(in
rdkit.ML.Scoring.Scoring
)
ClearCache()
(in
MolChemicalFeature
)
connect()
(in
rdkit.Dbase.DbModule
)
CalcSimpleDescriptorsForComposition()
(in
CompoundDescriptorCalculator
)
ClearComputedProps()
(in
Mol
)
console
(in
rdkit.Chem.MolKey.InchiInfo
)
CalcSingleCompoundDescriptor()
(in
rdkit.ML.Descriptors.Parser
)
ClearExamples()
(in
DecTreeNode
)
ConstrainedEmbed()
(in
rdkit.Chem.AllChem
)
CalcTotalEntropy()
(in
rdkit.ML.DecTree.ID3
)
ClearModelExamples()
(in
Composite
)
ConstrainedEnum()
(in
rdkit.Chem.Pharm3D.EmbedLib
)
CalcTPSA()
(in
rdkit.Chem.rdMolDescriptors
)
ClearProp()
(in
Atom
)
ConstructEnsembleBV()
(in
rdkit.DataStructs.BitUtils
)
CalcTreeNodeSizes()
(in
rdkit.ML.DecTree.TreeVis
)
ClearProp()
(in
Bond
)
ConstructNodes()
(in
Network
)
CalcTreeWidth()
(in
rdkit.ML.DecTree.TreeVis
)
ClearProp()
(in
Mol
)
ConstructRandomWeights()
(in
Network
)
CalculateDirectionsAtPoint()
(in
rdkit.Chem.Subshape.BuilderUtils
)
ClearProp()
(in
FilterCatalogEntry
)
ConstructSidechains()
(in
rdkit.Chem.ChemUtils.TemplateExpand
)
CalculateTFD()
(in
rdkit.Chem.TorsionFingerprints
)
CLINK
(in
rdkit.ML.Cluster.Murtagh
)
continuousHighlight
(in
MolDrawOptions
)
CalculateTorsionAngles()
(in
rdkit.Chem.TorsionFingerprints
)
CLINK
(in
rdkit.SimDivFilters
)
Convert()
(in
rdkit.Chem.ChemUtils.SDFToCSV
)
CalculateTorsionLists()
(in
rdkit.Chem.TorsionFingerprints
)
CLINK
(in
rdkit.SimDivFilters.rdSimDivPickers
)
convert_input_to_typed_molecules()
(in
rdkit.Chem.fmcs.fmcs'
)
CalculateTorsionWeights()
(in
rdkit.Chem.TorsionFingerprints
)
CLINK
(in
ClusterMethod
)
convertColor()
(in
rdkit.Chem.Draw.aggCanvas
)
camera_type_3d
(in
rdkit.Chem.Draw.IPythonConsole
)
close()
(in
PDBWriter
)
convertColor()
(in
rdkit.Chem.Draw.spingCanvas
)
canceled
(in
MCSResult
)
close()
(in
SDWriter
)
ConvertRows()
(in
rdkit.Chem.MolDb.Loader_orig
)
CangenNode
(in
rdkit.Chem.fmcs.fmcs'
)
close()
(in
SmilesWriter
)
ConvertToExplicit()
(in
rdkit.DataStructs.cDataStructs
)
canon()
(in
rdkit.Chem.fmcs.fmcs'
)
close()
(in
TDTWriter
)
ConvertToNumpyArray()
(in
rdkit.DataStructs.cDataStructs
)
canonical_bondtype
(in
Bond
)
Closest
(in
FeatMapScoreMode
)
coordScale
(in
DrawingOptions
)
CanonicalizeConformer()
(in
rdkit.Chem.rdMolTransforms
)
Cluster
(in
rdkit.ML
)
CosineSimilarity()
(in
rdkit.Chem.AtomPairs.Utils
)
CanonicalizeMol()
(in
rdkit.Chem.rdMolTransforms
)
Cluster
(in
rdkit.ML.Cluster.Clusters
)
CosineSimilarity()
(in
rdkit.DataStructs.cDataStructs
)
CanonicalRankAtoms()
(in
rdkit.Chem.rdmolfiles
)
Cluster()
(in
HierarchicalClusterPicker
)
countOptions
(in
rdkit.ML.Descriptors.CompoundDescriptors
)
CanonicalRankAtomsInFragment()
(in
rdkit.Chem.rdmolfiles
)
ClusterAlignments()
(in
rdkit.Chem.Subshape.SubshapeAligner
)
CountResults()
(in
rdkit.ML.Data.DataUtils
)
CanonSmiles()
(in
rdkit.Chem
)
ClusterBits()
(in
BitClusterer
)
CountUpTo()
(in
rdkit.Chem.Pharm2D.Utils
)
canvas
(in
MolDrawing
)
ClusterData()
(in
rdkit.ML.Cluster.Butina
)
cQuantize
(in
rdkit.ML.Data
)
Canvas
(in
rdkit.Chem.Draw.aggCanvas
)
ClusterData()
(in
rdkit.ML.Cluster.Murtagh
)
CreateDifferenceFingerprintForReaction()
(in
rdkit.Chem.rdChemReactions
)
Canvas
(in
rdkit.Chem.Draw.cairoCanvas
)
ClusterFromDetails()
(in
rdkit.Chem.Fingerprints.ClusterMols
)
CreateFromBinaryText()
(in
rdkit.DataStructs.cDataStructs
)
Canvas
(in
rdkit.Chem.Draw.mplCanvas
)
Clustering
(in
rdkit.ML.Cluster
)
CreateFromBitString()
(in
rdkit.DataStructs.cDataStructs
)
Canvas
(in
rdkit.Chem.Draw.qtCanvas
)
ClusterMethod
(in
rdkit.SimDivFilters.rdSimDivPickers
)
CreateFromFPSText()
(in
rdkit.DataStructs.cDataStructs
)
Canvas
(in
rdkit.Chem.Draw.spingCanvas
)
ClusterMols
(in
rdkit.Chem.Fingerprints
)
CreateMolCatalog()
(in
rdkit.Chem.rdMolCatalog
)
canvasbase
(in
rdkit.Chem.Draw
)
ClusterPoints()
(in
rdkit.Chem.Fingerprints.ClusterMols
)
CreateMolFingerprint()
(in
rdkit.Chem.FunctionalGroups
)
CanvasBase
(in
rdkit.Chem.Draw.canvasbase
)
ClusterRenderer
(in
rdkit.ML.Cluster.ClusterVis
)
CreateStructuralFingerprintForReaction()
(in
rdkit.Chem.rdChemReactions
)
canvasSize
(in
MolDrawing
)
Clusters
(in
rdkit.ML.Cluster
)
Crippen
(in
rdkit.Chem
)
carboxylatePatt
(in
rdkit.Chem.SATIS
)
ClusterTerminalPts()
(in
rdkit.Chem.Subshape.BuilderUtils
)
CristianiRiskBound()
(in
rdkit.ML.SLT.Risk
)
carboxylPatt
(in
rdkit.Chem.SATIS
)
ClusterToImg()
(in
rdkit.ML.Cluster.ClusterVis
)
cross()
(in
rdkit.Chem.Features.FeatDirUtilsRD
)
catalogName
(in
RunDetails
)
ClusterToPDF()
(in
rdkit.ML.Cluster.ClusterVis
)
CrossProduct()
(in
Point3D
)
cDataStructs
(in
rdkit.DataStructs
)
ClusterToSVG()
(in
rdkit.ML.Cluster.ClusterVis
)
CrossValidate
(in
rdkit.ML.DecTree
)
CDXImageTransformer
(in
rdkit.Dbase.DbReport
)
ClusterUtils
(in
rdkit.ML.Cluster
)
CrossValidate
(in
rdkit.ML.KNN
)
CENTROID
(in
rdkit.ML.Cluster.Murtagh
)
ClusterVis
(in
rdkit.ML.Cluster
)
CrossValidate
(in
rdkit.ML.NaiveBayes
)
CENTROID
(in
rdkit.SimDivFilters
)
CMIM
(in
rdkit.ML.DecTree.BuildSigTree
)
CrossValidate
(in
rdkit.ML.Neural
)
CENTROID
(in
rdkit.SimDivFilters.rdSimDivPickers
)
CMIM
(in
rdkit.ML.NaiveBayes.CrossValidate
)
CrossValidate()
(in
rdkit.ML.DecTree.CrossValidate
)
CENTROID
(in
ClusterMethod
)
CMPTOL
(in
rdkit.ML.Cluster.Clusters
)
CrossValidate()
(in
rdkit.ML.KNN.CrossValidate
)
ChangeMoleculeRendering()
(in
rdkit.Chem.PandasTools
)
coarseGridToleranceMult
(in
SubshapeAligner
)
CrossValidate()
(in
rdkit.ML.NaiveBayes.CrossValidate
)
CharacteristicPolynomial()
(in
rdkit.Chem.Graphs
)
CoarseScreenPharmacophore()
(in
rdkit.Chem.Pharm3D.EmbedLib
)
CrossValidate()
(in
rdkit.ML.Neural.CrossValidate
)
Check2DBounds()
(in
rdkit.Chem.Pharm3D.EmbedLib
)
codeSize
(in
AtomPairsParameters
)
CrossValidationDriver()
(in
rdkit.ML.DecTree.CrossValidate
)
check_completeRingsOnly()
(in
rdkit.Chem.fmcs.fmcs'
)
CollectDescriptorNames()
(in
rdkit.ML.DecTree.TreeUtils
)
CrossValidationDriver()
(in
rdkit.ML.KNN.CrossValidate
)
CheckCanonicalization()
(in
rdkit.Chem.Randomize
)
CollectLabelLevels()
(in
rdkit.ML.DecTree.TreeUtils
)
CrossValidationDriver()
(in
rdkit.ML.NaiveBayes.CrossValidate
)
CheckCTAB()
(in
rdkit.Chem.MolKey.MolKey
)
CollectResults()
(in
rdkit.ML.ScreenComposite
)
CrossValidationDriver()
(in
rdkit.ML.Neural.CrossValidate
)
Chem
(in rdkit)
CollectVotes()
(in
Composite
)
cSma1
(in
rdkit.Chem.Fraggle.FraggleSim
)
ChemicalFeatures
(in
rdkit.Chem
)
CollectVotes()
(in
Forest
)
cSma2
(in
rdkit.Chem.Fraggle.FraggleSim
)
ChemicalForceFields
(in
rdkit.Chem
)
CollectVotes()
(in
BitCorrMatGenerator
)
cyc_smarts
(in
rdkit.Chem.Fraggle.FraggleSim
)
ChemicalReaction
(in
rdkit.Chem.rdChemReactions
)
CollectVotes()
(in
rdkit.ML.MLUtils.VoteImg
)
CYLINDER
(in
rdkit.Chem.Features.ShowFeats
)
ChemUtils
(in
rdkit.Chem
)
COLOR
(in
rdkit.Chem.Features.ShowFeats
)
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