Identifier Index

[ A B C D E F G H I J K L M N O P Q R S T U V W X Y Z _ ]

S

salts (in rdkit.VLib.NodeLib.demo)	SetMetric() (in Cluster)	SlogP_VSA5() (in rdkit.Chem.MolSurf)
SampleSubshape() (in SubshapeBuilder)	SetMetricFromName() (in FingerprinterDetails)	SlogP_VSA6() (in rdkit.Chem.MolSurf)
sanitize (in FastSDMolSupplier)	SetMinCount() (in Pharm2DSig)	SlogP_VSA7() (in rdkit.Chem.MolSurf)
SanitizeMol() (in rdkit.Chem)	SetModel() (in Composite)	SlogP_VSA8() (in rdkit.Chem.MolSurf)
SATIS (in rdkit.Chem)	SetModel() (in ModelPackage)	SlogP_VSA9() (in rdkit.Chem.MolSurf)
SATISTypes() (in rdkit.Chem.SATIS)	SetModelFilterData() (in Composite)	SlogP_VSA_() (in rdkit.Chem.MolSurf)
SaveState() (in DescriptorCalculator)	SetMol() (in MolCatalogEntry)	SLT (in rdkit.ML)
SaveState() (in MolecularDescriptorCalculator)	SetName() (in Cluster)	sma (in rdkit.Chem.BRICS)
ScaffoldPasses() (in rdkit.Chem.Pharm2D.Utils)	SetName() (in TreeNode)	smaFilter (in rdkit.VLib.NodeLib.demo)
ScoreFeats() (in FeatMap)	SetName() (in KNNModel)	SmartsFilter (in rdkit.VLib.NodeLib.SmartsMolFilter)
ScoreFromLists() (in rdkit.Chem.BuildFragmentCatalog)	SetName() (in NaiveBayesClassifier)	smartsGps (in rdkit.Chem.BRICS)
scoreMode (in FeatMap)	SetNegate() (in FilterNode)	SmartsMolFilter (in rdkit.VLib.NodeLib)
ScoreMolecules() (in rdkit.Chem.BuildFragmentCatalog)	SetNodeScales() (in rdkit.ML.DecTree.TreeVis)	smartsPatts (in rdkit.Chem.MACCSkeys)
ScorePoint() (in SimilarityCalculator)	SetNoImplicit() (in Atom)	SmartsRemover (in rdkit.VLib.NodeLib)
scoresName (in RunDetails)	SetNotes() (in ModelPackage)	SmartsRemover (in rdkit.VLib.NodeLib.SmartsRemover)
ScoreWithIndex() (in BitEnsemble)	SetNumDigits() (in TDTWriter)	smiCol (in RunDetails)
ScoreWithOnBits() (in BitEnsemble)	SetNumExplicitHs() (in Atom)	smiles (in RecapHierarchyNode)
ScreenComposite (in rdkit.ML)	SetNumRadicalElectrons() (in Atom)	SmilesDupeFilter (in rdkit.VLib.NodeLib)
ScreenFingerprints() (in rdkit.Chem.Fingerprints.MolSimilarity)	SetOrder() (in MolCatalogEntry)	SmilesMolSupplier (in rdkit.Chem.rdmolfiles)
ScreenFromDetails() (in rdkit.Chem.Fingerprints.MolSimilarity)	SetParent() (in TreeNode)	SmilesMolSupplierFromText() (in rdkit.Chem.rdmolfiles)
ScreenFromDetails() (in rdkit.ML.ScreenComposite)	SetPatterns() (in Pharm2DSig)	smilesOut() (in OutputNode)
ScreenInDb() (in rdkit.Chem.Fingerprints.MolSimilarity)	SetPatternsFromSmarts() (in Pharm2DSig)	SmilesOutput (in rdkit.VLib.NodeLib)
ScreenIt() (in rdkit.ML.ScreenComposite)	SetPos() (in FreeChemicalFeature)	SmilesRoundtrip() (in rdkit.Chem)
ScreenModel() (in rdkit.ML.EnrichPlot)	SetPosition() (in Cluster)	SmilesSupply (in rdkit.VLib.NodeLib)
ScreenToHtml() (in rdkit.ML.ScreenComposite)	SetProbe() (in SimilarityScreener)	SmilesSupplyNode (in rdkit.VLib.NodeLib.SmilesSupply)
SDFToCSV (in rdkit.Chem.ChemUtils)	SetProp() (in Atom)	SmilesToJpeg() (in rdkit.Chem.Draw.DrawUtils)
SDMolSupplier (in rdkit.Chem.rdmolfiles)	SetProp() (in Mol)	SmilesWriter (in rdkit.Chem.rdmolfiles)
SDSupply (in rdkit.VLib.NodeLib)	SetProps() (in SDWriter)	smis (in rdkit.VLib.NodeLib.demo)
SDSupplyNode (in rdkit.VLib.NodeLib.SDSupply)	SetProps() (in SmilesWriter)	SMR_VSA1() (in rdkit.Chem.MolSurf)
SDWriter (in rdkit.Chem.rdmolfiles)	SetProps() (in TDTWriter)	SMR_VSA10() (in rdkit.Chem.MolSurf)
searchableFields (in rdkit.Dbase.Pubmed.QueryParams)	SetQuantBounds() (in Composite)	SMR_VSA2() (in rdkit.Chem.MolSurf)
searchableFieldsOrder (in rdkit.Dbase.Pubmed.QueryParams)	SetQuantBounds() (in QuantTreeNode)	SMR_VSA3() (in rdkit.Chem.MolSurf)
searchBase (in rdkit.Dbase.Pubmed.QueryParams)	setRadius() (in ExplicitPharmacophore)	SMR_VSA4() (in rdkit.Chem.MolSurf)
Searches (in rdkit.Dbase.Pubmed)	SetShortestPathsOnly() (in Pharm2DSig)	SMR_VSA5() (in rdkit.Chem.MolSurf)
seed() (in RDRandom)	SetSphereOccupancy() (in UniformGrid3D_)	SMR_VSA6() (in rdkit.Chem.MolSurf)
Select() (in Displayable)	SetSupplementalData() (in ModelPackage)	SMR_VSA7() (in rdkit.Chem.MolSurf)
SelectAtoms() (in MolViewer)	SetTerminal() (in TreeNode)	SMR_VSA8() (in rdkit.Chem.MolSurf)
SelectAtoms() (in MolViewer)	SetTestExamples() (in DecTreeNode)	SMR_VSA9() (in rdkit.Chem.MolSurf)
selectCMIM() (in rdkit.ML.FeatureSelect.rdFeatSelect)	SetTestExamples() (in KNNModel)	SMR_VSA_() (in rdkit.Chem.MolSurf)
selectColor (in MolDrawing)	SetTestExamples() (in NaiveBayesClassifier)	SokalSimilarity() (in rdkit.DataStructs.cDataStructs)
SelectFeatures() (in rdkit.ML.FeatureSelect.CMIM)	SetTrainingExamples() (in DecTreeNode)	SortModels() (in Composite)
SelectProteinNeighborhood() (in MolViewer)	SetTrainingExamples() (in KNNModel)	SortTrees() (in Forest)
SelectProteinNeighborhood() (in MolViewer)	SetTrainingExamples() (in NaiveBayesClassifier)	SP (in HybridizationType)
SeqTypes (in rdkit.ML.Data.SplitData)	SetTree() (in Forest)	SP2 (in HybridizationType)
Serialize() (in MolCatalog)	SetType() (in FreeChemicalFeature)	SP3 (in HybridizationType)
Serialize() (in FragCatParams)	setUp() (in TestCase)	SP3D (in HybridizationType)
Serialize() (in FragCatalog)	setUpperBound() (in Pharmacophore)	SP3D2 (in HybridizationType)
Set3D() (in Conformer)	setUpperBound2D() (in Pharmacophore)	SparseBitVect (in rdkit.DataStructs.BitVect)
SetActivityQuantBounds() (in Composite)	SetVal() (in UniformGrid3D_)	SparseBitVect (in rdkit.DataStructs.cDataStructs)
SetAromaticity() (in rdkit.Chem)	SetValPoint() (in UniformGrid3D_)	SparseIntVect (in rdkit.DataStructs)
SetAtomicNum() (in Atom)	SetVects() (in SimilarityCalculator)	SparseRankBits() (in rdkit.ML.InfoTheory.BitRank)
SetAtomPosition() (in Conformer)	SetWeights() (in NetNode)	specialCases (in rdkit.Chem.SATIS)
SetBadExamples() (in DecTreeNode)	SetWrite2D() (in TDTWriter)	SPHERE (in rdkit.Chem.Features.ShowFeats)
SetBadExamples() (in KNNClassificationModel)	SetWriteNames() (in TDTWriter)	spingCanvas (in rdkit.Chem.Draw)
SetBadExamples() (in KNNRegressionModel)	shapeDirs (in SkeletonPoint)	SpingDemo (in rdkit.Logger)
SetBadExamples() (in NaiveBayesClassifier)	shapeDist (in SubshapeAlignment)	SplitData (in rdkit.ML.Data)
SetBiasList() (in InfoBitRanker)	shapeDistTol (in SubshapeAligner)	SplitDataSet() (in rdkit.ML.Data.SplitData)
SetBins() (in SigFactory)	shapeMoments (in SkeletonPoint)	SplitDbData() (in rdkit.ML.Data.SplitData)
SetBins() (in Pharm2DSig)	ShapeProtrudeDist() (in rdkit.Chem.rdShapeHelpers)	splitExpr (in rdkit.Chem.FeatFinderCLI)
SetBit() (in Pharm2DSig)	shapes (in SubshapeShape)	SplitIndices() (in rdkit.ML.Data.SplitData)
SetBit() (in ExplicitBitVect)	ShapeTanimotoDist() (in rdkit.Chem.rdShapeHelpers)	SplitIntoNClusters() (in rdkit.ML.Cluster.ClusterUtils)
SetBit() (in SparseBitVect)	ShapeWithSkeleton (in rdkit.Chem.Subshape.SubshapeObjects)	splitLine (in rdkit.Chem.PeriodicTable')
SetBitList() (in BitCorrMatGenerator)	Show() (in Displayable)	SpreadPicker (in rdkit.SimDivFilters.SimilarityPickers)
SetBits() (in BitEnsemble)	ShowArrow() (in rdkit.Chem.Features.ShowFeats)	sqlBinTypes (in rdkit.Dbase.DbInfo)
SetBitsFromList() (in ExplicitBitVect)	ShowComposite() (in CompositeServer)	sqlBinTypes (in rdkit.Dbase.DbModule)
SetBitsFromList() (in SparseBitVect)	ShowDescriptors() (in DescriptorCalculator)	sqlFloatTypes (in rdkit.Dbase.DbInfo)
SetBondDir() (in Bond)	ShowDetails() (in rdkit.Chem.BuildFragmentCatalog)	sqlFloatTypes (in rdkit.Dbase.DbModule)
SetBondType() (in Bond)	ShowFeats (in rdkit.Chem.Features)	sqlIntTypes (in rdkit.Dbase.DbInfo)
SetCalculator() (in ModelPackage)	showMat() (in rdkit.PySVD.SVDSimilarity)	sqlIntTypes (in rdkit.Dbase.DbModule)
SetChiralTag() (in Atom)	ShowMetricMat() (in rdkit.ML.Cluster.Resemblance)	sqlTextTypes (in rdkit.Dbase.DbInfo)
SetClusters() (in BitClusterer)	ShowMol() (in MolViewer)	sqlTextTypes (in rdkit.Dbase.DbModule)
SetCount() (in Composite)	ShowMol() (in rdkit.Chem.Draw)	sqrt (in rdkit.Chem.Features.FeatDirUtils)
SetCount() (in Forest)	ShowMol() (in MolViewer)	sqrt (in rdkit.PySVD.SVDPack)
SetData() (in FeatMapParser)	ShowMolFeats() (in rdkit.Chem.Features.ShowFeats)	sqrt (in rdkit.PySVD.SVDSimilarity)
SetData() (in SDMolSupplier)	ShowMols (in rdkit.Chem)	Standardize (in rdkit.ML.Cluster)
SetData() (in SmilesMolSupplier)	ShowMolsMatchingBit() (in rdkit.Chem.FragmentCatalog)	StandardizeMatrix() (in rdkit.ML.Data.Stats)
SetData() (in TDTMolSupplier)	ShowOnly() (in Displayable)	start (in rdkit.Chem.PeriodicTable')
SetData() (in Cluster)	ShowStats() (in rdkit.ML.AnalyzeComposite)	Stats (in rdkit.ML.Data)
SetData() (in TreeNode)	ShowVersion() (in rdkit.ML.BuildComposite)	StdDev() (in rdkit.ML.Cluster.Standardize)
SetDataset() (in ModelPackage)	ShowVersion() (in rdkit.ML.GrowComposite)	stepSize (in SubshapeBuilder)
SetDataTuple() (in Composite)	ShowVersion() (in rdkit.ML.ScreenComposite)	StepUpdate() (in BackProp)
SetDataTuple() (in Forest)	ShowVoteResults() (in rdkit.ML.ScreenComposite)	STEREOANY (in BondStereo)
SetDefaults() (in rdkit.ML.BuildComposite)	SigFactory (in rdkit.Chem.Pharm2D)	STEREOE (in BondStereo)
SetDefaults() (in rdkit.ML.CompositeRun)	SigFactory (in rdkit.Chem.Pharm2D.SigFactory)	STEREONONE (in BondStereo)
SetDefaults() (in rdkit.ML.GrowComposite)	Sigmoid (in rdkit.ML.Neural.ActFuncs)	STEREOZ (in BondStereo)
SetDefaults() (in rdkit.ML.ScreenComposite)	Signature (in rdkit.Chem.Pharm2D)	StorageUtils (in rdkit.Dbase)
SetDescription() (in MolCatalogEntry)	SignedAngleTo() (in Point2D)	Store() (in CompositeRun)
SetDescriptorNames() (in Composite)	SignedAngleTo() (in Point3D)	stringTypes (in rdkit.Logger.Logger)
SetDisplayStyle() (in MolViewer)	SigTree (in rdkit.ML.DecTree)	Subshape (in rdkit.Chem)
SetDisplayStyle() (in MolViewer)	SigTreeBuilder() (in rdkit.ML.DecTree.BuildSigTree)	SubshapeAligner (in rdkit.Chem.Subshape)
SetDisplayUpdate() (in MolViewer)	SigTreeNode (in rdkit.ML.DecTree.SigTree)	SubshapeAligner (in rdkit.Chem.Subshape.SubshapeAligner)
SetDisplayUpdate() (in MolViewer)	SimDivFilters (in rdkit)	SubshapeAlignment (in rdkit.Chem.Subshape.SubshapeAligner)
SetError() (in Composite)	SimilarityCalculator (in rdkit.PySVD.SVDSimilarity)	SubshapeBuilder (in rdkit.Chem.Subshape)
SetError() (in Forest)	similarityFunctions (in rdkit.DataStructs)	SubshapeBuilder (in rdkit.Chem.Subshape.SubshapeBuilder)
SetExamples() (in DecTreeNode)	SimilarityPickers (in rdkit.SimDivFilters)	SubshapeCombineOperations (in rdkit.Chem.Subshape.SubshapeBuilder)
SetExamples() (in KNNModel)	SimilarityScreener (in rdkit.Chem.Fingerprints)	SubshapeDistanceMetric (in rdkit.Chem.Subshape.SubshapeAligner)
SetExamples() (in NaiveBayesClassifier)	SimilarityScreener (in rdkit.Chem.Fingerprints.SimilarityScreener)	SubshapeObjects (in rdkit.Chem.Subshape)
SetFamily() (in FreeChemicalFeature)	sin (in rdkit.Chem.Features.FeatDirUtils)	SubshapeShape (in rdkit.Chem.Subshape.SubshapeObjects)
SetFormalCharge() (in Atom)	sin (in rdkit.PySVD.SVDPack)	subtract (in rdkit.Chem.Features.FeatDirUtils)
SetHybridization() (in Atom)	sin (in rdkit.PySVD.SVDSimilarity)	subtract (in rdkit.PySVD.SVDPack)
SetId() (in Conformer)	SINGLE (in BondType)	subtract (in rdkit.PySVD.SVDSimilarity)
SetIncludeBondOrder() (in Pharm2DSig)	sinh (in rdkit.Chem.Features.FeatDirUtils)	Sum (in DirMergeMode)
SetIndex() (in Cluster)	sinh (in rdkit.PySVD.SVDPack)	SUM (in SubshapeCombineOperations)
SetInputOrder() (in Composite)	sinh (in rdkit.PySVD.SVDSimilarity)	Sum() (in pySparseIntVect)
SetInputOrder() (in CompositeServer)	SIXTEENBITVALUE (in DiscreteValueType)	SUM() (in CompoundDescriptorCalculator)
SetInputs() (in NetNode)	size (in Font)	SUM() (in rdkit.ML.Descriptors.Parser)
SetIsAromatic() (in Atom)	size (in pySparseIntVect)	summaryBase (in rdkit.Dbase.Pubmed.QueryParams)
SetIsAromatic() (in Bond)	SkeletonPoint (in rdkit.Chem.Subshape.SubshapeObjects)	SummaryRecord (in rdkit.Dbase.Pubmed.Records)
SetIsConjugated() (in Bond)	skelPts (in ShapeWithSkeleton)	suppl (in FastSDMolSupplier)
SetLabel() (in TreeNode)	SLINK (in rdkit.ML.Cluster.Murtagh)	supplier (in rdkit.VLib.NodeLib.demo)
SetLabels() (in Pharm2DSig)	SLINK (in ClusterMethod)	SupplierFromDetails() (in rdkit.Chem.BuildFragmentCatalog)
setLevel() (in logger)	SlogP_VSA1() (in rdkit.Chem.MolSurf)	SupplierFromFilename() (in rdkit.Chem)
SetLevel() (in TreeNode)	SlogP_VSA10() (in rdkit.Chem.MolSurf)	Suppliers (in rdkit.Chem)
setLowerBound() (in Pharmacophore)	SlogP_VSA11() (in rdkit.Chem.MolSurf)	Supply (in rdkit.VLib)
setLowerBound2D() (in Pharmacophore)	SlogP_VSA12() (in rdkit.Chem.MolSurf)	SupplyNode (in rdkit.VLib.Supply)
SetMaskBits() (in InfoBitRanker)	SlogP_VSA2() (in rdkit.Chem.MolSurf)	SVDPack (in rdkit.PySVD)
SetMass() (in Atom)	SlogP_VSA3() (in rdkit.Chem.MolSurf)	SVDSimilarity (in rdkit.PySVD)
SetMaxCount() (in Pharm2DSig)	SlogP_VSA4() (in rdkit.Chem.MolSurf)	sz (in rdkit.Logger.SpingDemo)