rdkit.Chem.MolStandardize module¶
Submodules¶
- rdkit.Chem.MolStandardize.rdMolStandardize module
AllowedAtomsValidation
CHARGE_CORRECTIONS()
CanonicalTautomer()
ChargeCorrection
ChargeParent()
ChargeParentInPlace()
Cleanup()
CleanupInPlace()
CleanupParameters
CleanupParameters.acidbaseFile
CleanupParameters.doCanonical
CleanupParameters.fragmentFile
CleanupParameters.largestFragmentChooserCountHeavyAtomsOnly
CleanupParameters.largestFragmentChooserUseAtomCount
CleanupParameters.maxRestarts
CleanupParameters.maxTautomers
CleanupParameters.maxTransforms
CleanupParameters.normalizationsFile
CleanupParameters.preferOrganic
CleanupParameters.tautomerReassignStereo
CleanupParameters.tautomerRemoveBondStereo
CleanupParameters.tautomerRemoveIsotopicHs
CleanupParameters.tautomerRemoveSp3Stereo
CleanupParameters.tautomerTransformsFile
DisallowedAtomsValidation
DisconnectOrganometallics()
DisconnectOrganometallicsInPlace()
FragmentParent()
FragmentParentInPlace()
FragmentRemover
FragmentRemoverFromData()
FragmentValidation
GetV1TautomerEnumerator()
IsotopeParent()
IsotopeParentInPlace()
IsotopeValidation
LargestFragmentChooser
MetalDisconnector
MetalDisconnectorOptions
MolVSValidation
NeutralValidation
NoAtomValidation
Normalize()
NormalizeInPlace()
Normalizer
NormalizerFromData()
NormalizerFromParams()
RDKitValidation
Reionize()
ReionizeInPlace()
Reionizer
ReionizerFromData()
RemoveFragments()
RemoveFragmentsInPlace()
SmilesTautomerMap
StandardizeSmiles()
StereoParent()
StereoParentInPlace()
SuperParent()
SuperParentInPlace()
Tautomer
TautomerEnumerator
TautomerEnumerator.Canonicalize()
TautomerEnumerator.Enumerate()
TautomerEnumerator.GetCallback()
TautomerEnumerator.GetMaxTautomers()
TautomerEnumerator.GetMaxTransforms()
TautomerEnumerator.GetReassignStereo()
TautomerEnumerator.GetRemoveBondStereo()
TautomerEnumerator.GetRemoveSp3Stereo()
TautomerEnumerator.PickCanonical()
TautomerEnumerator.ScoreTautomer()
TautomerEnumerator.SetCallback()
TautomerEnumerator.SetMaxTautomers()
TautomerEnumerator.SetMaxTransforms()
TautomerEnumerator.SetReassignStereo()
TautomerEnumerator.SetRemoveBondStereo()
TautomerEnumerator.SetRemoveSp3Stereo()
TautomerEnumerator.tautomerScoreVersion
TautomerEnumeratorCallback
TautomerEnumeratorResult
TautomerEnumeratorStatus
TautomerParent()
TautomerParentInPlace()
Uncharger
UpdateParamsFromJSON()
ValidateSmiles()
ValidationMethod
map_indexing_suite_SmilesTautomerMap_entry