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:
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:
Type | Smile 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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