Class | Description |
---|---|
CxSmilesGenerator | |
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.
|
Copyright © 2018. All Rights Reserved.