E.8. SMILES

The Simplified Molecular Input Line Entry Specification (SMILES) format is a linear text format which can describe the connectivity and chirality of a molecule. It does not include 2D or 3D coordinates and hydrogens atoms are not represented. The SMILES are described on the Daylight Website. However, a complete SMILES standard does not exist. Craig James is leading a campaign to develop an Open Standard for SMILES. The discussion is taking place under the umbrella of the Blue Obelisk Group.

E.8.1. Canonical SMILES

Canonical SMILES is a particular type of SMILES, that has a single canonical form for any particular molecule, regardless of atom order.