| dbo:abstract |
SMARTS (de l'anglès Smiles arbitrary target specification) és un llenguatge que permet descriure patrons moleculars fent servir regles que provenen del llenguatge SMILE. (ca) 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 . 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. (en) SMARTS是SMILES基础之上的改进版。SMARTS中增加的一点是，它允许使用通配符表示原子和化学键。因此，它在化合物数据库中广泛用于结构的计算机化搜索。这种搜索的机理是先通过输入的SMILES式重构化学式，再搜索子图的同形；而不是直接通过SMILES式的对比完成的。 (zh) |
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dbr:Electrophilic_aromatic_substitution dbr:Molecule dbr:Hydrogen_bond dbc:Cheminformatics dbr:SMILES dbc:Encodings dbr:Trifluoromethyl dbr:Line_notation dbr:Aliphatic dbr:Amine dbr:PH dbr:Carboxylic_acid dbr:Aromatic dbr:Phenol dbr:Indole dbr:OpenEye_Scientific_Software dbr:Matched_molecular_pair_analysis dbr:Lipinski's_Rule_of_Five dbr:Tautomer dbr:Virtual_screening dbr:Molecule_editor dbr:Pharmacophore dbr:Daylight_Chemical_Information_Systems dbr:Smallest_set_of_smallest_rings |
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| rdfs:comment |
SMARTS (de l'anglès Smiles arbitrary target specification) és un llenguatge que permet descriure patrons moleculars fent servir regles que provenen del llenguatge SMILE. (ca) SMARTS是SMILES基础之上的改进版。SMARTS中增加的一点是，它允许使用通配符表示原子和化学键。因此，它在化合物数据库中广泛用于结构的计算机化搜索。这种搜索的机理是先通过输入的SMILES式重构化学式，再搜索子图的同形；而不是直接通过SMILES式的对比完成的。 (zh) 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. (en) |
| rdfs:label |
SMARTS (ca) SMILES arbitrary target specification (en) SMARTS (zh) |
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