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
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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