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]
S
S
(in
HybridizationType
)
SetDefaultPickleProperties()
(in
rdkit.Chem.rdchem
)
SimilarityPickers
(in
rdkit.SimDivFilters
)
SaltRemover
(in
rdkit.Chem
)
SetDefaults()
(in
rdkit.ML.BuildComposite
)
SimilarityScreener
(in
rdkit.Chem.Fingerprints
)
SaltRemover
(in
rdkit.Chem.SaltRemover
)
SetDefaults()
(in
rdkit.ML.CompositeRun
)
SimilarityScreener
(in
rdkit.Chem.Fingerprints.SimilarityScreener
)
salts
(in
rdkit.VLib.NodeLib.demo
)
SetDefaults()
(in
rdkit.ML.GrowComposite
)
SimpleEnum
(in
rdkit.Chem
)
SampleSubshape()
(in
SubshapeBuilder
)
SetDefaults()
(in
rdkit.ML.ScreenComposite
)
SINGLE
(in
BondType
)
sanePartialProducts
(in
EnumerationParams
)
SetDescription()
(in
MolCatalogEntry
)
SingleBestAtoms
(in
rdkit.Chem.fmcs.fmcs'
)
sanitize
(in
SmilesParserParams
)
SetDescription()
(in
FilterCatalogEntry
)
SingleBestAtomsCompleteRingsOnly
(in
rdkit.Chem.fmcs.fmcs'
)
SANITIZE_ADJUST_REACTANTS
(in
rdkit.Chem.AllChem
)
SetDescriptorNames()
(in
Composite
)
SingleBestBonds
(in
rdkit.Chem.fmcs.fmcs'
)
SANITIZE_ADJUST_REACTANTS
(in
rdkit.Chem.rdChemReactions
)
setDescriptorVersion()
(in
rdkit.Chem.ChemUtils.DescriptorUtilities
)
SingleBestBondsCompleteRingsOnly
(in
rdkit.Chem.fmcs.fmcs'
)
SANITIZE_ADJUST_REACTANTS
(in
SanitizeFlags
)
SetDihedralDeg()
(in
rdkit.Chem.rdMolTransforms
)
SIXTEENBITVALUE
(in
rdkit.DataStructs
)
SANITIZE_ADJUSTHS
(in
rdkit.Chem.AllChem
)
SetDihedralRad()
(in
rdkit.Chem.rdMolTransforms
)
SIXTEENBITVALUE
(in
DiscreteValueType
)
SANITIZE_ADJUSTHS
(in
rdkit.Chem
)
SetDisplayStyle()
(in
MolViewer
)
SIXTEENBITVALUE
(in
rdkit.DataStructs.cDataStructs
)
SANITIZE_ADJUSTHS
(in
rdkit.Chem.rdmolops
)
SetDisplayStyle()
(in
MolViewer
)
Size()
(in
MolBundle
)
SANITIZE_ADJUSTHS
(in
SanitizeFlags
)
SetDisplayUpdate()
(in
MolViewer
)
size_check_failed
(in
StruChkFlag
)
SANITIZE_ALL
(in
rdkit.Chem.AllChem
)
SetDisplayUpdate()
(in
MolViewer
)
SIZE_CHECK_FAILED
(in
StructureFlags
)
SANITIZE_ALL
(in
rdkit.Chem
)
SetDoubleProp()
(in
Atom
)
SkeletonPoint
(in
rdkit.Chem.Subshape.SubshapeObjects
)
SANITIZE_ALL
(in
rdkit.Chem.rdChemReactions
)
SetDoubleProp()
(in
Bond
)
skelPts
(in
ShapeWithSkeleton
)
SANITIZE_ALL
(in
SanitizeFlags
)
SetDoubleProp()
(in
Mol
)
Skip()
(in
EnumerationStrategyBase
)
SANITIZE_ALL
(in
rdkit.Chem.rdmolops
)
SetError()
(in
Composite
)
SLINK
(in
rdkit.ML.Cluster.Murtagh
)
SANITIZE_ALL
(in
SanitizeFlags
)
SetError()
(in
Forest
)
SLINK
(in
rdkit.SimDivFilters
)
SANITIZE_ATOM_MAPS
(in
rdkit.Chem.AllChem
)
SetExamples()
(in
DecTreeNode
)
SLINK
(in
ClusterMethod
)
SANITIZE_ATOM_MAPS
(in
rdkit.Chem.rdChemReactions
)
SetExamples()
(in
KNNModel
)
SLINK
(in
rdkit.SimDivFilters.rdSimDivPickers
)
SANITIZE_ATOM_MAPS
(in
SanitizeFlags
)
SetExamples()
(in
NaiveBayesClassifier
)
SlogP_VSA1()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUP
(in
rdkit.Chem.AllChem
)
SetExclusionPatterns()
(in
ExclusionList
)
SlogP_VSA10()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUP
(in
rdkit.Chem
)
SetFamily()
(in
FreeChemicalFeature
)
SlogP_VSA11()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUP
(in
rdkit.Chem.rdmolops
)
SetFontSize()
(in
MolDraw2D
)
SlogP_VSA12()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUP
(in
SanitizeFlags
)
SetForceV3000()
(in
SDWriter
)
SlogP_VSA2()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUPCHIRALITY
(in
rdkit.Chem.AllChem
)
SetFormalCharge()
(in
Atom
)
SlogP_VSA3()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUPCHIRALITY
(in
rdkit.Chem
)
setHighlightColour()
(in
MolDrawOptions
)
SlogP_VSA4()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUPCHIRALITY
(in
rdkit.Chem.rdmolops
)
SetHybridization()
(in
Atom
)
SlogP_VSA5()
(in
rdkit.Chem.MolSurf
)
SANITIZE_CLEANUPCHIRALITY
(in
SanitizeFlags
)
SetHybridization()
(in
rdkit.Chem.rdmolops
)
SlogP_VSA6()
(in
rdkit.Chem.MolSurf
)
SANITIZE_FINDRADICALS
(in
rdkit.Chem.AllChem
)
SetId()
(in
FreeChemicalFeature
)
SlogP_VSA7()
(in
rdkit.Chem.MolSurf
)
SANITIZE_FINDRADICALS
(in
rdkit.Chem
)
SetId()
(in
Conformer
)
SlogP_VSA8()
(in
rdkit.Chem.MolSurf
)
SANITIZE_FINDRADICALS
(in
rdkit.Chem.rdmolops
)
SetIndex()
(in
Cluster
)
SlogP_VSA9()
(in
rdkit.Chem.MolSurf
)
SANITIZE_FINDRADICALS
(in
SanitizeFlags
)
SetInputOrder()
(in
Composite
)
SlogP_VSA_()
(in
rdkit.Chem.rdMolDescriptors
)
SANITIZE_KEKULIZE
(in
rdkit.Chem.AllChem
)
SetInputs()
(in
NetNode
)
SLT
(in
rdkit.ML
)
SANITIZE_KEKULIZE
(in
rdkit.Chem
)
SetInsertionCode()
(in
AtomPDBResidueInfo
)
sma
(in
rdkit.Chem.BRICS
)
SANITIZE_KEKULIZE
(in
rdkit.Chem.rdmolops
)
SetIntProp()
(in
Atom
)
smaFilter
(in
rdkit.VLib.NodeLib.demo
)
SANITIZE_KEKULIZE
(in
SanitizeFlags
)
SetIntProp()
(in
Bond
)
smarts
(in
FGHierarchyNode
)
SANITIZE_MERGEHS
(in
rdkit.Chem.AllChem
)
SetIntProp()
(in
Mol
)
smarts
(in
rdkit.Chem.QED
)
SANITIZE_MERGEHS
(in
rdkit.Chem.rdChemReactions
)
SetIsAromatic()
(in
Atom
)
SMARTS
(in
InputFormat
)
SANITIZE_MERGEHS
(in
SanitizeFlags
)
SetIsAromatic()
(in
Bond
)
SmartsFilter
(in
rdkit.VLib.NodeLib.SmartsMolFilter
)
SANITIZE_NONE
(in
rdkit.Chem.AllChem
)
SetIsConjugated()
(in
Bond
)
smartsGps
(in
rdkit.Chem.BRICS
)
SANITIZE_NONE
(in
rdkit.Chem
)
SetIsHeteroAtom()
(in
AtomPDBResidueInfo
)
SmartsMatcher
(in
rdkit.Chem.rdfiltercatalog
)
SANITIZE_NONE
(in
rdkit.Chem.rdChemReactions
)
SetIsotope()
(in
Atom
)
SmartsMolFilter
(in
rdkit.VLib.NodeLib
)
SANITIZE_NONE
(in
SanitizeFlags
)
SetKekulize()
(in
SDWriter
)
smartsPatts
(in
rdkit.Chem.MACCSkeys
)
SANITIZE_NONE
(in
rdkit.Chem.rdmolops
)
SetLabel()
(in
TreeNode
)
SmartsRemover
(in
rdkit.VLib.NodeLib
)
SANITIZE_NONE
(in
SanitizeFlags
)
SetLevel()
(in
TreeNode
)
SmartsRemover
(in
rdkit.VLib.NodeLib.SmartsRemover
)
SANITIZE_PROPERTIES
(in
rdkit.Chem.AllChem
)
setLowerBound()
(in
Pharmacophore
)
smartsString
(in
MCSResult
)
SANITIZE_PROPERTIES
(in
rdkit.Chem
)
setLowerBound2D()
(in
Pharmacophore
)
smiCol
(in
RunDetails
)
SANITIZE_PROPERTIES
(in
rdkit.Chem.rdmolops
)
SetMaskBits()
(in
InfoBitRanker
)
smiles
(in
RecapHierarchyNode
)
SANITIZE_PROPERTIES
(in
SanitizeFlags
)
SetMaxCount()
(in
SmartsMatcher
)
SMILES
(in
InputFormat
)
SANITIZE_RGROUP_NAMES
(in
rdkit.Chem.AllChem
)
SetMetric()
(in
Cluster
)
SmilesDupeFilter
(in
rdkit.VLib.NodeLib
)
SANITIZE_RGROUP_NAMES
(in
rdkit.Chem.rdChemReactions
)
SetMetricFromName()
(in
FingerprinterDetails
)
SmilesMolSupplier
(in
rdkit.Chem.rdmolfiles
)
SANITIZE_RGROUP_NAMES
(in
SanitizeFlags
)
SetMinCount()
(in
SmartsMatcher
)
SmilesMolSupplierFromText()
(in
rdkit.Chem.rdmolfiles
)
SANITIZE_SETAROMATICITY
(in
rdkit.Chem.AllChem
)
SetMMFFAngleTerm()
(in
MMFFMolProperties
)
smilesOut()
(in
OutputNode
)
SANITIZE_SETAROMATICITY
(in
rdkit.Chem
)
SetMMFFBondTerm()
(in
MMFFMolProperties
)
SmilesOutput
(in
rdkit.VLib.NodeLib
)
SANITIZE_SETAROMATICITY
(in
rdkit.Chem.rdmolops
)
SetMMFFDielectricConstant()
(in
MMFFMolProperties
)
SmilesParserParams
(in
rdkit.Chem.rdmolfiles
)
SANITIZE_SETAROMATICITY
(in
SanitizeFlags
)
SetMMFFDielectricModel()
(in
MMFFMolProperties
)
SmilesSupply
(in
rdkit.VLib.NodeLib
)
SANITIZE_SETCONJUGATION
(in
rdkit.Chem.AllChem
)
SetMMFFEleTerm()
(in
MMFFMolProperties
)
SmilesSupplyNode
(in
rdkit.VLib.NodeLib.SmilesSupply
)
SANITIZE_SETCONJUGATION
(in
rdkit.Chem
)
SetMMFFOopTerm()
(in
MMFFMolProperties
)
SmilesWriter
(in
rdkit.Chem.rdmolfiles
)
SANITIZE_SETCONJUGATION
(in
rdkit.Chem.rdmolops
)
SetMMFFStretchBendTerm()
(in
MMFFMolProperties
)
smis
(in
rdkit.VLib.NodeLib.demo
)
SANITIZE_SETCONJUGATION
(in
SanitizeFlags
)
SetMMFFTorsionTerm()
(in
MMFFMolProperties
)
SMR_VSA1()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SETHYBRIDIZATION
(in
rdkit.Chem.AllChem
)
SetMMFFVariant()
(in
MMFFMolProperties
)
SMR_VSA10()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SETHYBRIDIZATION
(in
rdkit.Chem
)
SetMMFFVdWTerm()
(in
MMFFMolProperties
)
SMR_VSA2()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SETHYBRIDIZATION
(in
rdkit.Chem.rdmolops
)
SetMMFFVerbosity()
(in
MMFFMolProperties
)
SMR_VSA3()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SETHYBRIDIZATION
(in
SanitizeFlags
)
SetModel()
(in
Composite
)
SMR_VSA4()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SYMMRINGS
(in
rdkit.Chem.AllChem
)
SetModel()
(in
ModelPackage
)
SMR_VSA5()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SYMMRINGS
(in
rdkit.Chem
)
SetModelFilterData()
(in
Composite
)
SMR_VSA6()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SYMMRINGS
(in
rdkit.Chem.rdmolops
)
SetMol()
(in
MolCatalogEntry
)
SMR_VSA7()
(in
rdkit.Chem.MolSurf
)
SANITIZE_SYMMRINGS
(in
SanitizeFlags
)
SetMonomerInfo()
(in
Atom
)
SMR_VSA8()
(in
rdkit.Chem.MolSurf
)
SanitizeFlags
(in
rdkit.Chem.rdChemReactions
)
SetMonomerType()
(in
AtomMonomerInfo
)
SMR_VSA9()
(in
rdkit.Chem.MolSurf
)
SanitizeFlags
(in
rdkit.Chem.rdmolops
)
SetName()
(in
AtomMonomerInfo
)
SMR_VSA_()
(in
rdkit.Chem.rdMolDescriptors
)
SanitizeMol()
(in
rdkit.Chem.rdmolops
)
SetName()
(in
Cluster
)
Snapshot()
(in
rdkit.Chem.rdtrajectory
)
SanitizeRxn()
(in
rdkit.Chem.rdChemReactions
)
SetName()
(in
TreeNode
)
SokalSimilarity()
(in
rdkit.DataStructs.cDataStructs
)
SATIS
(in
rdkit.Chem
)
SetName()
(in
KNNModel
)
SortModels()
(in
Composite
)
SATISTypes()
(in
rdkit.Chem.SATIS
)
SetName()
(in
NaiveBayesClassifier
)
SortTrees()
(in
Forest
)
save()
(in
Canvas
)
SetNegate()
(in
FilterNode
)
SP
(in
HybridizationType
)
save_atom_classes()
(in
rdkit.Chem.fmcs.fmcs'
)
SetNodeScales()
(in
rdkit.ML.DecTree.TreeVis
)
SP2
(in
HybridizationType
)
save_isotopes()
(in
rdkit.Chem.fmcs.fmcs'
)
SetNoImplicit()
(in
Atom
)
SP3
(in
HybridizationType
)
SaveFile()
(in
MolViewer
)
SetNotes()
(in
ModelPackage
)
SP3D
(in
HybridizationType
)
SaveSMILESFromFrame()
(in
rdkit.Chem.PandasTools
)
SetNumDigits()
(in
TDTWriter
)
SP3D2
(in
HybridizationType
)
SaveState()
(in
DescriptorCalculator
)
SetNumExplicitHs()
(in
Atom
)
SparseBitVect
(in
rdkit.DataStructs.cDataStructs
)
SaveState()
(in
MolecularDescriptorCalculator
)
SetNumRadicalElectrons()
(in
Atom
)
SparseRankBits()
(in
rdkit.ML.InfoTheory.BitRank
)
SaveXlsxFromFrame()
(in
rdkit.Chem.PandasTools
)
SetNumThreads()
(in
ResonanceMolSupplier
)
specialCases
(in
rdkit.Chem.SATIS
)
ScaffoldPasses()
(in
rdkit.Chem.Pharm2D.Utils
)
SetOccupancy()
(in
AtomPDBResidueInfo
)
SPHERE
(in
rdkit.Chem.Features.ShowFeats
)
Scaffolds
(in
rdkit.Chem
)
SetOffset()
(in
MolDraw2D
)
SpherocityIndex()
(in
rdkit.Chem.Descriptors3D
)
ScaffoldTree
(in
rdkit.Chem.Scaffolds
)
SetOrder()
(in
MolCatalogEntry
)
spingCanvas
(in
rdkit.Chem.Draw
)
scaleAndCenter()
(in
MolDrawing
)
SetParent()
(in
TreeNode
)
SplitData
(in
rdkit.ML.Data
)
Score()
(in
O3A
)
SetPattern()
(in
FilterHierarchyMatcher
)
SplitDataSet()
(in
rdkit.ML.Data.SplitData
)
ScoreFeats()
(in
FeatMap
)
SetPattern()
(in
SmartsMatcher
)
SplitDbData()
(in
rdkit.ML.Data.SplitData
)
ScoreFromLists()
(in
rdkit.Chem.BuildFragmentCatalog
)
SetPos()
(in
FreeChemicalFeature
)
splitExpr
(in
rdkit.Chem.FeatFinderCLI
)
scoreMode
(in
FeatMap
)
SetPosition()
(in
Cluster
)
SplitIndices()
(in
rdkit.ML.Data.SplitData
)
ScoreMolecules()
(in
rdkit.Chem.BuildFragmentCatalog
)
SetProbe()
(in
SimilarityScreener
)
SplitIntoNClusters()
(in
rdkit.ML.Cluster.ClusterUtils
)
scoresName
(in
RunDetails
)
SetProp()
(in
PropertyMol
)
splitLine
(in
rdkit.Chem.PeriodicTable'
)
ScoreWithIndex()
(in
BitEnsemble
)
SetProp()
(in
Atom
)
SplitMolByPDBChainId()
(in
rdkit.Chem.rdmolops
)
ScoreWithOnBits()
(in
BitEnsemble
)
SetProp()
(in
Bond
)
SplitMolByPDBResidues()
(in
rdkit.Chem.rdmolops
)
Scoring
(in
rdkit.ML
)
SetProp()
(in
Mol
)
SpreadPicker
(in
rdkit.SimDivFilters.SimilarityPickers
)
Scoring
(in
rdkit.ML.Scoring
)
SetProp()
(in
FilterCatalogEntry
)
sqlBinTypes
(in
rdkit.Dbase.DbInfo
)
ScreenComposite
(in
rdkit.ML
)
SetProps()
(in
SDWriter
)
sqlBinTypes
(in
rdkit.Dbase.DbModule
)
ScreenFingerprints()
(in
rdkit.Chem.Fingerprints.MolSimilarity
)
SetProps()
(in
SmilesWriter
)
sqlFloatTypes
(in
rdkit.Dbase.DbInfo
)
ScreenFromDetails()
(in
rdkit.Chem.Fingerprints.MolSimilarity
)
SetProps()
(in
TDTWriter
)
sqlFloatTypes
(in
rdkit.Dbase.DbModule
)
ScreenFromDetails()
(in
rdkit.ML.ScreenComposite
)
SetQuantBounds()
(in
Composite
)
sqlIntTypes
(in
rdkit.Dbase.DbInfo
)
ScreenInDb()
(in
rdkit.Chem.Fingerprints.MolSimilarity
)
SetQuantBounds()
(in
QuantTreeNode
)
sqlIntTypes
(in
rdkit.Dbase.DbModule
)
ScreenIt()
(in
rdkit.ML.ScreenComposite
)
setRadius()
(in
ExplicitPharmacophore
)
sqlTextTypes
(in
rdkit.Dbase.DbInfo
)
ScreenModel()
(in
rdkit.ML.EnrichPlot
)
SetResidueName()
(in
AtomPDBResidueInfo
)
sqlTextTypes
(in
rdkit.Dbase.DbModule
)
ScreenToHtml()
(in
rdkit.ML.ScreenComposite
)
SetResidueNumber()
(in
AtomPDBResidueInfo
)
Standardize
(in
rdkit.ML.Cluster
)
scriptPattern
(in
rdkit.Chem.Draw.cairoCanvas
)
SetScale()
(in
MolDraw2D
)
StandardizeMatrix()
(in
rdkit.ML.Data.Stats
)
SDFToCSV
(in
rdkit.Chem.ChemUtils
)
SetSecondaryStructure()
(in
AtomPDBResidueInfo
)
start
(in
rdkit.Chem.PeriodicTable'
)
SDMolSupplier
(in
rdkit.Chem.rdmolfiles
)
SetSegmentNumber()
(in
AtomPDBResidueInfo
)
starting_from
(in
rdkit.Chem.fmcs.fmcs'
)
SDSupply
(in
rdkit.VLib.NodeLib
)
SetSerialNumber()
(in
AtomPDBResidueInfo
)
Stats
(in
rdkit.ML.Data
)
SDSupplyNode
(in
rdkit.VLib.NodeLib.SDSupply
)
SetSphereOccupancy()
(in
UniformGrid3D_
)
Stats()
(in
EvenSamplePairsStrategy
)
SDWriter
(in
rdkit.Chem.rdmolfiles
)
SetState()
(in
EnumerateLibraryBase
)
std_ostream
searchLayerFlags
(in
LayeredOptions
)
SetStereo()
(in
Bond
)
StdDev()
(in
rdkit.ML.Cluster.Standardize
)
Select()
(in
Displayable
)
SetStereoAtoms()
(in
Bond
)
stepSize
(in
SubshapeBuilder
)
select_fragments()
(in
rdkit.Chem.Fraggle.FraggleSim
)
SetSupplementalData()
(in
ModelPackage
)
StepUpdate()
(in
BackProp
)
SelectAtoms()
(in
MolViewer
)
SetSupplementalSmilesLabel()
(in
rdkit.Chem.rdchem
)
stereo_all_re
(in
rdkit.Chem.MolKey.InchiInfo
)
SelectAtoms()
(in
MolViewer
)
SetTempFactor()
(in
AtomPDBResidueInfo
)
stereo_code
(in
MolKeyResult
)
selectColor
(in
DrawingOptions
)
SetTerminal()
(in
TreeNode
)
stereo_code_dict
(in
rdkit.Chem.MolKey.MolKey
)
SelectProteinNeighborhood()
(in
MolViewer
)
SetTestExamples()
(in
DecTreeNode
)
stereo_comment
(in
MolKeyResult
)
SelectProteinNeighborhood()
(in
MolViewer
)
SetTestExamples()
(in
KNNModel
)
stereo_error
(in
StruChkFlag
)
SeqTypes
(in
rdkit.ML.Data.SplitData
)
SetTestExamples()
(in
NaiveBayesClassifier
)
STEREO_ERROR
(in
StructureFlags
)
Serialize()
(in
EnumerateLibraryBase
)
SetTrainingExamples()
(in
DecTreeNode
)
stereo_forced_bad
(in
StruChkFlag
)
Serialize()
(in
MolCatalog
)
SetTrainingExamples()
(in
KNNModel
)
STEREO_FORCED_BAD
(in
StructureFlags
)
Serialize()
(in
FilterCatalog
)
SetTrainingExamples()
(in
NaiveBayesClassifier
)
stereo_re
(in
rdkit.Chem.MolKey.InchiInfo
)
Serialize()
(in
FilterCatalogEntry
)
SetTree()
(in
Forest
)
stereo_transformed
(in
StruChkFlag
)
Serialize()
(in
FragCatParams
)
SetType()
(in
FreeChemicalFeature
)
STEREO_TRANSFORMED
(in
StructureFlags
)
Serialize()
(in
FragCatalog
)
SetUnsignedProp()
(in
Atom
)
STEREOANY
(in
BondStereo
)
Set3D()
(in
Conformer
)
SetUnsignedProp()
(in
Bond
)
STEREOCIS
(in
BondStereo
)
set_isotopes()
(in
rdkit.Chem.fmcs.fmcs'
)
SetUnsignedProp()
(in
Mol
)
STEREOE
(in
BondStereo
)
SetActivityQuantBounds()
(in
Composite
)
setUpperBound()
(in
Pharmacophore
)
StereoEnumerationOptions
(in
rdkit.Chem.EnumerateStereoisomers
)
SetAltLoc()
(in
AtomPDBResidueInfo
)
setUpperBound2D()
(in
Pharmacophore
)
STEREONONE
(in
BondStereo
)
SetAngleDeg()
(in
rdkit.Chem.rdMolTransforms
)
SetVal()
(in
UniformGrid3D_
)
STEREOTRANS
(in
BondStereo
)
SetAngleRad()
(in
rdkit.Chem.rdMolTransforms
)
SetValPoint()
(in
UniformGrid3D_
)
STEREOZ
(in
BondStereo
)
SetAromaticity()
(in
rdkit.Chem.rdmolops
)
SetWeights()
(in
NetNode
)
StorageUtils
(in
rdkit.Dbase
)
SetAtomAlias()
(in
rdkit.Chem.rdchem
)
SetWrite2D()
(in
TDTWriter
)
Store()
(in
CompositeRun
)
SetAtomicNum()
(in
Atom
)
SetWriteNames()
(in
TDTWriter
)
streambuf
SetAtomMapNum()
(in
Atom
)
shapeDirs
(in
SkeletonPoint
)
Strict
(in
NumRotatableBondsOptions
)
setAtomPalette()
(in
MolDrawOptions
)
shapeDist
(in
SubshapeAlignment
)
StrictLinkages
(in
NumRotatableBondsOptions
)
SetAtomPosition()
(in
Conformer
)
shapeDistTol
(in
SubshapeAligner
)
StringToStructureFlags()
(in
StructChecker
)
SetAtomRLabel()
(in
rdkit.Chem.rdchem
)
shapeMoments
(in
SkeletonPoint
)
StripMol()
(in
SaltRemover
)
SetAtomTyper()
(in
MCSParameters
)
ShapeProtrudeDist()
(in
rdkit.Chem.rdShapeHelpers
)
StripMolWithDeleted()
(in
SaltRemover
)
SetAtomValue()
(in
rdkit.Chem.rdchem
)
shapes
(in
SubshapeShape
)
StripZeros
(in
StructCheckerOptions
)
setBackgroundColour()
(in
MolDrawOptions
)
ShapeTanimotoDist()
(in
rdkit.Chem.rdShapeHelpers
)
StruChkFlag
(in
rdkit.Avalon.pyAvalonTools
)
SetBadExamples()
(in
DecTreeNode
)
ShapeWithSkeleton
(in
rdkit.Chem.Subshape.SubshapeObjects
)
StruChkResult
(in
rdkit.Avalon.pyAvalonTools
)
SetBadExamples()
(in
KNNClassificationModel
)
Sheridan
(in
rdkit.Chem.AtomPairs
)
StructChecker
(in
rdkit.Chem.rdStructChecker
)
SetBadExamples()
(in
KNNRegressionModel
)
shift_targets()
(in
CachingTargetsMatcher
)
StructCheckerOptions
(in
rdkit.Chem.rdStructChecker
)
SetBadExamples()
(in
NaiveBayesClassifier
)
shift_targets()
(in
VerboseCachingTargetsMatcher
)
StructuralAlerts
(in
rdkit.Chem.QED
)
SetBiasList()
(in
InfoBitRanker
)
Show()
(in
Displayable
)
StructuralAlertSmarts
(in
rdkit.Chem.QED
)
SetBins()
(in
SigFactory
)
ShowArrow()
(in
rdkit.Chem.Features.ShowFeats
)
structure_format_functions
(in
rdkit.Chem.fmcs.fmcs'
)
SetBit()
(in
ExplicitBitVect
)
ShowDescriptors()
(in
DescriptorCalculator
)
StructureFlags
(in
rdkit.Chem.rdStructChecker
)
SetBit()
(in
SparseBitVect
)
ShowDetails()
(in
rdkit.Chem.BuildFragmentCatalog
)
StructureFlagsToString()
(in
StructChecker
)
SetBitList()
(in
BitCorrMatGenerator
)
ShowFeats
(in
rdkit.Chem.Features
)
Subgraph
(in
rdkit.Chem.fmcs.fmcs'
)
SetBits()
(in
BitEnsemble
)
ShowMetricMat()
(in
rdkit.ML.Cluster.Resemblance
)
subgraph_to_fragment()
(in
rdkit.Chem.fmcs.fmcs'
)
SetBitsFromList()
(in
ExplicitBitVect
)
ShowMol()
(in
MolViewer
)
Subshape
(in
rdkit.Chem
)
SetBitsFromList()
(in
SparseBitVect
)
ShowMol()
(in
rdkit.Chem.Draw
)
SubshapeAligner
(in
rdkit.Chem.Subshape
)
SetBondDir()
(in
Bond
)
ShowMol()
(in
MolViewer
)
SubshapeAligner
(in
rdkit.Chem.Subshape.SubshapeAligner
)
SetBondLength()
(in
rdkit.Chem.rdMolTransforms
)
ShowMolFeats()
(in
rdkit.Chem.Features.ShowFeats
)
SubshapeAlignment
(in
rdkit.Chem.Subshape.SubshapeAligner
)
SetBondType()
(in
Bond
)
ShowMols
(in
rdkit.Chem
)
SubshapeBuilder
(in
rdkit.Chem.Subshape
)
SetBondTyper()
(in
MCSParameters
)
ShowMols()
(in
rdkit.Chem.Draw.IPythonConsole
)
SubshapeBuilder
(in
rdkit.Chem.Subshape.SubshapeBuilder
)
SetBoolProp()
(in
Atom
)
ShowOnly()
(in
Displayable
)
SubshapeCombineOperations
(in
rdkit.Chem.Subshape.SubshapeBuilder
)
SetBoolProp()
(in
Bond
)
ShowStats()
(in
rdkit.ML.AnalyzeComposite
)
SubshapeDistanceMetric
(in
rdkit.Chem.Subshape.SubshapeAligner
)
SetBoolProp()
(in
Mol
)
showUnknownDoubleBonds
(in
DrawingOptions
)
SubshapeObjects
(in
rdkit.Chem.Subshape
)
SetCalculator()
(in
ModelPackage
)
ShowVersion()
(in
rdkit.ML.BuildComposite
)
SubshapeShape
(in
rdkit.Chem.Subshape.SubshapeObjects
)
SetChainId()
(in
AtomPDBResidueInfo
)
ShowVersion()
(in
rdkit.ML.GrowComposite
)
SubstructLibrary
(in
rdkit.Chem.rdSubstructLibrary
)
SetChiralTag()
(in
Atom
)
ShowVersion()
(in
rdkit.ML.ScreenComposite
)
success
(in
StruChkResult
)
SetClusters()
(in
BitClusterer
)
ShowVoteResults()
(in
rdkit.ML.ScreenComposite
)
Sum
(in
DirMergeMode
)
SetConjugation()
(in
rdkit.Chem.rdmolops
)
SigFactory
(in
rdkit.Chem.Pharm2D
)
SUM
(in
SubshapeCombineOperations
)
SetCount()
(in
Composite
)
SigFactory
(in
rdkit.Chem.Pharm2D.SigFactory
)
SUM()
(in
CompoundDescriptorCalculator
)
SetCount()
(in
Forest
)
Sigmoid
(in
rdkit.ML.Neural.ActFuncs
)
SUM()
(in
rdkit.ML.Descriptors.Parser
)
SetData()
(in
FeatMapParser
)
SignedAngleTo()
(in
Point2D
)
supplier
(in
rdkit.VLib.NodeLib.demo
)
SetData()
(in
SDMolSupplier
)
SignedAngleTo()
(in
Point3D
)
SupplierFromDetails()
(in
rdkit.Chem.BuildFragmentCatalog
)
SetData()
(in
SmilesMolSupplier
)
SigTree
(in
rdkit.ML.DecTree
)
SupplierFromFilename()
(in
rdkit.Chem
)
SetData()
(in
TDTMolSupplier
)
SigTreeBuilder()
(in
rdkit.ML.DecTree.BuildSigTree
)
Suppliers
(in
rdkit.Chem
)
SetData()
(in
Cluster
)
SigTreeNode
(in
rdkit.ML.DecTree.SigTree
)
Supply
(in
rdkit.VLib
)
SetData()
(in
TreeNode
)
SimDivFilters
(in rdkit)
SupplyNode
(in
rdkit.VLib.Supply
)
SetDataset()
(in
ModelPackage
)
similarityFunctions
(in
rdkit.DataStructs
)
supportedSimilarityMethods
(in
rdkit.Chem.MolDb.FingerprintUtils
)
SetDataTuple()
(in
Composite
)
SimilarityMaps
(in
rdkit.Chem.Draw
)
SetDataTuple()
(in
Forest
)
similarityMethods
(in
rdkit.Chem.MolDb.FingerprintUtils
)
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