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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Her brow shades frowns, although her eyes are sunny;
Her smiles are lightning, though her pride despair;
And her disdains are gall, her favours honey.
A modest maid, decked with a blush of honour,
Whose feet do tread green paths of youth and love,”
—Samuel Daniel (1562–1619)
“We do the same thing to parents that we do to children. We insist that they are some kind of categorical abstraction because they produced a child. They were people before that, and they’re still people in all other areas of their lives. But when it comes to the state of parenthood they are abruptly heir to a whole collection of virtues and feelings that are assigned to them with a fine arbitrary disregard for individuality.”
—Leontine Young (20th century)
“But this we know, the obstacle that checked
And tripped the body, shot the spirit on
Further than target ever showed or shone.”
—Robert Frost (1874–1963)