Annotations establish the core concept of the CurlySMILES language.
They enhance
SMILES,
SFN and
composite notations.
CurlySMILES distinguishes between
atom-anchored annotations
(AAAs)
and
component-anchored annotations
(CAAs).
AAAs apply to SMILES notations, in which they are inserted
by following an atomic node
code (ANC).
The following AAA types are defined in CurlySMILES:
stereodescriptor,
structural unit annotation,
group environment annotation,
molecular detail annotation
and
operational annotation.
A CAA is appended to the end of a notation component (a dot-separated
part of a CurlySMILES notation). A CAA is inserted after the last ANC
of a component, following its AAAs, but precedes the multiplier, if
any is present. CurlySMILES defines
state and shape annotations
and
miscellaneous interest annotations
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Reference
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A. Drefahl:
CurlySMILES: a chemical language
to customize and annotate encodings of molecular and
nanodevice structures
.
J. Cheminf.
2011, 3:1;
doi:
10.1186/1758-2946-3-1
.
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