Tuesday, 25 November 2014

SMILES

Assalamualiakum :)


Today we want to talk about SMILES but not this smile

SMILES here means the 
simplified molecular-input line-entry system (SMILES) which is a specification in form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecule.

There are two types of SMILES which are Canonical SMILES and Isomeric SMILES. Canonical SMILES includes rules for ensuring that each distinct chemical molecule has a single unique SMILES representation while Isomeric SMILES includes extensions to support the specification of isotopes chirality and configuration about double bond.

Here are some examples of SMILES


To learn more about SMILES, click here

Thats all from us. Thank you
Bye uolls!



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