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SMIRKS...
...is a reaction transform language.
...is a superset of reaction SMILES.
...is a subset of reaction SMARTS.
...has behaviors that don't exist in the other languages.
...can describe reaction mechanisms with varying degrees of specificity and
generality.
The extensions described
here are fully implemented and supported throughout the Daylight system. The
SMILES and SMARTS languages are redefined with a larger scope to include
reaction features. It is reasonable to refer to a "Molecule SMILES" or a
"Reaction SMILES", but from this version on, the SMILES and SMARTS languages are
defined to include support for reactions.
Further Information and full course material
please go to the
DAYLIGHT.COM
courtesy:http://www.daylight.com |