SMILES(Simplified Molecular Input Line Entry Specification)

    

The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules 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 molecules 

       Simplified Molecular Input Line Entry System (SMILES)
     Widely used AND computationally efficient

     Uses atomic symbols and a set of intuitive rules

     Uses hydrogen-suppressed molecular graphs (HSMG)  

 

 types of smiles

       The term Canonical SMILES refers to the version of the SMILES specification

      that includes rules for ensuring that each distinct chemical molecule has a 

      single unique SMILES representation

–A common application of Canonical SMILES is for indexing and ensuring uniqueness of molecules in a database

The term Isomeric SMILES refers to the version of the SMILES specification 

       that includes extensions to support the specification of isotopes, chirality, 

       and configuration about double bonds

–A notable feature of these rules is that they allow rigorous partial specification of chirality.

 

 

         today's tutorial of smiles,,,,,,:)