Introduction to SMILES

Assalamualaikum friends. Today we learn of a new topic called SMILES. SMILES stands for simplified molecular input line entry specification. SMILES is used for unambiguously describing the structure of chemical molecules using short ASCII strings. It is widely used and computationally efficient. SMILES uses atomic symbols and a set of intuitive rules and it also uses hydrogen-suppressed molecular graphs (HSMG) to display it. There are two types of Canonical SMILES and Isomeric SMILES. Below are a few examples of SMILES notation:

Ethene	C=C
Trichloroethene,	ClC(Cl)=CCl
Chloroethene	ClC=C
cis-1,2-Dichloroethane	ClC=CCl

The picture below depicts the actual usage of SMILES notation in real chemistry:

If you intend to know more about SMILES notation,you can refer to this link: http://www.w3schools.com/