org.openscience.cdk.smiles (cdk 2.10 API)

Class Summary
Class	Description
CxSmilesGenerator
DeduceBondSystemTool	Deprecated. Use the newer `Kekulization`
FixBondOrdersTool	Deprecated. use `Kekulization`
InvPair	This is used to hold the invariance numbers for the canonical labeling of `IAtomContainer`s.
SmiFlavor	Flags for customising SMILES generation.
SmilesGenerator	SMILES [Weininger, David. Journal of Chemical Information and Computer Sciences. 1988. 28, Weininger, David et. al.. Journal of Chemical Information and Computer Sciences. 1989. 29] provides a compact representation of chemical structures and reactions.
SmilesParser	Read molecules and reactions from a SMILES [?Authors?, SMILES Tutorial] string.

Package org.openscience.cdk.smiles