Top 1,000 Features Creators Events Podcasts Extensions Blog Explorer CSV Download


< >

Smiles, aka Simplified molecular-input line-entry system, is a text data format created in 1988 by David Weininger.

#933on PLDB 36Years Old

The simplified molecular-input line-entry system (SMILES) is a specification in the 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 molecules. The original SMILES specification was initiated in the 1980s. Read more on Wikipedia...

Example from the web:
CC(=O)NCCC1=CNc2c1cc(OC)cc2 CC(=O)NCCc1c[nH]c2ccc(OC)cc12

View source

- Build the next great programming language About Resources Acknowledgements Part of the World Wide Scroll