Module rdChemReactions


Classes

ChemicalReaction
FingerprintType
ROMolList
ReactionFingerprintParams

Functions

Compute2DCoordsForReaction
CreateDifferenceFingerprintForReaction
CreateStructuralFingerprintForReaction
HasAgentTemplateSubstructMatch
HasProductTemplateSubstructMatch
HasReactantTemplateSubstructMatch
HasReactionAtomMapping
HasReactionSubstructMatch
IsReactionTemplateMoleculeAgent
ReactionFromMolecule
ReactionFromRxnBlock
ReactionFromRxnFile
ReactionFromSmarts
ReactionToMolecule
ReactionToRxnBlock
ReactionToSmarts
ReactionToSmiles
ReduceProductToSideChains
RemoveMappingNumbersFromReactions
UpdateProductsStereochemistry

Variables

__package__

[hide private]