Thursday, October 31, 2013

Smiles Notation


Smiles is a good action that gives many benefit to our health. People looks very beautiful and more attractive when they are smiling.



hehehehehe......

but in this post, we are going to explain not that type of smile but the other type of "SMILES".

The words SMILES itself means Simplified Molecular Input Entry System. It is widely use AND computationally efficient. 

There are two types of SMILES:
1-Canonical SMILES
2-Isomeric SMILES

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 of SMILES representation.

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

There are 4 types of SMILES bond:


TypeSmile Bond
SINGLE-
DOUBLE=
TRIPLE #
AROMATIC:

SMILES Symbols
The symbols are consist of string of alphanumeric characters and certain punctuation symbols for examples, B, C, N, O, P, S, F, Cl, Br, I.

These are some example of SMILES notation


SMILES notation

For any further information you can go to this website http://www.epa.gov/med/Prods_Pubs/smiles.htm

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