17 June 2004
Daylight CIS UK Ltd
Identifiers and data
The SMILES contains information about the structure
only. The language continues to be enriched to enable
the SMILES to accurately represent what a compound
I.e. it is an
Other information exists which is
about the identifier.
This we refer to as
. This should not under any
circumstances be embedded in the SMILES. E.g.
Depiction i.e. 2D coordinates
Data is associated with the appropriate identifier using
thor data trees or tdts.