Simplified molecular-input line-entry system

Chemical species structure notation / From Wikipedia, the free encyclopedia

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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.

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Filename extension
Internet media type
Type of formatchemical file format
SMILES generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone

The original SMILES specification was initiated in the 1980s. It has since been modified and extended. In 2007, an open standard called OpenSMILES was developed in the open source chemistry community.

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