Tuesday, 18 November 2014

Let's Do The Smile

The simplified molecular-input entry system which is known as SMILES is a specification in the form of a line for describing the structure of chemical species using ASCII strings. Usually the smiles strings can be imported by most molecule editors for conversion back into 2-D drawings or 3-D drawings models of the molecule.

There are many functions of SMILES. SMILES notations could allow the specification of configuration at tetrahedral centers and double bond geometry. This kind of features cannot be specified by connectivity alone SMILES which encode this information are termed isometric SMILES. The most a notable feature of this rules is that they only allow rigorous partial specification of chirality.

This is the example of the structure using SMILES notations:


To know more details about SMILES notation, you can click here :))

There are many complex molecules can be drawn using SMILES





Structure
Symbol
Single bond
-
Double bond
=
Triple bond
#
Aromatic
:

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