SMILES

SMILES (Simplified Molecular Input Line Entry Specification) is a code of molecular structures using short ASCII strings (Computer Language). This idea was developed by Arthur Weininger and David Weininger in the late 1980s.

An example, OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
That is the code for glucose. The shape is a chair shaped cyclohexane with substituents.

To try out smiles, we built the molecular structure in this program called chem sketch and used the software to generate the SMILES code. The concept of naming the molecular structures using takes time to learn. Below are some of my SMILES work.