Molecular Query Language: Difference between revisions

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Revision as of 12:41, 5 May 2014

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The '''Molecular Query Language''' ('''MQL''') was designed to allow more complex, problem-specific search methods in [[chemoinformatics]]. In contrast to the widely used [[Smiles_arbitrary_target_specificationSmiles arbitrary target specification|SMARTS]] queries, MQL provides for the specification of spatial and physicochemical properties of atoms and bonds. Additionally, it can easily be extended to handle non-atom-based graphs, also known as "reduced feature" graphs.

The [[query language]] is based on an [[extended Backus–Naur form]] (EBNF) using [[JavaCC]].

== Notes and references ==

* E. Proschak, J. K. Wegner, A. SchüllerSchüller, G. Schneider, U. Fechner, ''Molecular Query Language (MQL)-A Context-Free Grammar for Substructure Matching'', J. Chem. Inf. Model., '''2007''', ''47'', 295-301. {{doi|10.1021/ci600305h}}

{{Reflist|2}}

==See also==

* [[Smiles_arbitrary_target_specificationSmiles arbitrary target specification|SMARTS]]

* [[International Chemical Identifier]]