Molecular Query Language: Difference between revisions

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The '''Molecular Query Language''' ('''MQL''') was designed to allow more complex, problem-specific search methods in [[chemoinformatics]].{{Vague| In contrast to allowthe morewidely ..used [[Smiles arbitrary target specification|SMARTS]] queries, MQL provides for the specification of spatial and physicochemical properties of atoms and bonds. thanAdditionally, what?}}it ((morecan thaneasily what?))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]]. In contrast to [[Smiles_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.

== 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]]

==References==

* E. Proschak, J. K. Wegner, A. Schüller, 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}}

==External links==

* [https://web.archive.org/web/20070110165756/http://gecco.org.chemie.uni-frankfurt.de/mql/ Java Webstart application for MQL]

{{Query languages}}

[[Category:Cheminformatics]]