Tuesday, 4 November 2014

SMILES

Well, we sure do a lot of smiles today :D

What is SMILES anyway?

  • It is actually the initials of Simplified Molecular Input Line Entry Specification. It is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings.


Surely we have some difficulties to learn this thing, but Alhamdulillah, we manage to overcome that problem. Experience make us better right?



When writing the chemical formula of the compound, there are some rules need to be applied such as how to write the bonds.

Type of bond Symbol
Single* -
Double =
Triple #
Aromatic* :
*can be omitted

The SMILES is used on the CHEMSKETCH by acd lab. It is on the previous post. So, it is simple for us to get our hands on this application :)

This is the link to download the chemsketch in case you guys are interested. Surely, it is INTERESTING!!

No comments:

Post a Comment