Wednesday, October 6, 2010

SMILES.....KOS1110 tutorial
















SMILES!!!



Don't misinterpret this word..SMILES that I meant is the short form of Simplified Molecular Input Line Entry Specification..It is a specification to describe chemical molecules using short ASCII strings.The strings can be imported by most molecule editors for conversion back into 2-D drawings or 3-D models of the molecules.



Complicated?Yes, it is.Especially for a very beginer like me..And the hardest part is to briefly describe it here in this post..huhuhu.....

V Below is a link that might be helpful for those who want to get to know more about SMILES:

http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html




















Cyanide/Nitrile C#N
iron(II) cation [Fe++]

^ The right column are some symbols used to describe the molecules in the left column....