Wednesday, October 6, 2010

SMILES....

Simplified Molecular Input Line Entry System(SMILES) was our assignment for today.
We learned to draw molecular structure in chemsketch...it was quite difficult but then became fun once I know how to do it.
What is SMILES...
  "Is a specification unambiguously describing the structure of chemical molecules using short ASCII strings"
In drawing a molecular structure it is important to have bonds which shows the connection of one molecule to another..here are a few examples of symbols representing bonds.. 
Single -
Double =
Triple #

With this I attach my completed assignment for viewing...not sure if its right or not..
Tutorial 1  


Tutorial 2

Tutorial 3

Tutorial 4
Below every structure is the condensed molecular formula of the structure which was determined by the computer. only for the first tutorial I did it manually. Computer really makes life easy..hee

Below is a link to Wikipedia.for more information regarding SMILES..
 CLICK
That's all for now...signing out..

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