Monday, October 11, 2010

SMILES..=)

..Bismillahirrahmanirrahim..


Now, I learn more about what contains
in the Computer of Science
subject which provided by
International Islamic University Malaysia.
When looking at the title above, i really 
think that it
means S.M.I.L.E.S  like what we heard 
and understood before this.
But actually, S.M.I.L.E.S here bring
the meaning of 
Simplified Molecular Input Line Entry System 

The term canonical SMILES refers to
the version of the SMILES
specification that includes rules 
for ensuring that each distinct chemical molecule
has single unique SMILES representation.


The term Isomeric SMILES refers
to the version 
of the SMILES spesification
that includes extensions
to support the specification 
of isotopes, chirality,and configuration
about double bonds


Here are some SMILES Bonds

Single -
Double =
Triple #
               Aromatic                            :              

Below are the examples of SMILE notation:

For more details about this post,
I would like to suggest you to visit this blog.
Thank you(^_~)


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