March 01, 2006

What is SMILES?

SMILES (Simplified Molecular Input Line Entry Specification) is a simple yet comprehensive chemical nomenclature. SMILES is widely used as a general-purpose chemical nomenclature and data exchange format. I am sure you have seen examples like elemental gold [Au], carbon dioxide O=C=O, or nitrobenzene c1ccccc1[N+](=O)[O-].

Daylight Chemical Information Systems, Inc. has put together several SMILES resources such as a directory of resources and a tutorial.

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