SMiles ARbitrary Target Specification (SMARTS) is a language for specifying substructural patterns in molecules. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification and atom typing.
SMARTS is related to the SMILES line notation that is used to encode molecular structures and like SMILES was originally developed by David Weininger and colleagues at Daylight Chemical Information Systems. The most comprehensive descriptions of the SMARTS language can be found in Daylight's SMARTS theory manual, tutorial and examples. OpenEye Scientific Software has developed their own version of SMARTS which differs from the original Daylight version in how the R descriptor (see cyclicity below) is defined.
Read more about Smiles Arbitrary Target Specification: Examples of SMARTS, Applications of SMARTS
Famous quotes containing the words smiles, arbitrary and/or target:
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Much the same smile? This grew; I gave commands;
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As if alive.”
—Robert Browning (1812–1889)
“Me, what’s that after all? An arbitrary limitation of being bounded by the people before and after and on either side. Where they leave off, I begin, and vice versa.”
—Russell Hoban (b. 1925)
“Well gentlemen, this is it. This is what we’ve been waiting for. Tonight your target is Tokyo. And you’re gonna play ‘em the Star Spangled Banner with two-ton bombs. All you’ve got to do is to remember what you’ve learned and follow your squadron leaders. They’ll get you in, and they’ll get you out. Any questions? All right that’s all. Good luck to you. Give ‘em hell.”
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