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SMILES arbitrary target specification

SMILES arbitrary target specification - Text data format

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SMILES arbitrary target specification is a text data format created in 1987 by David Weininger.

#2643on PLDB 37Years Old

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. Read more on Wikipedia...


Example from the web:
[$([NH2][CX4]),$([NH]([CX4])[CX4]),$([NX3]([CX4])([CX4])[CX4])]

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