Molecular Query Language: Difference between revisions

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The '''Molecular Query Language''' ('''MQL''') was designed forto allowingallow more complex and, problem -specific search methods. Thein [[query language]] is based on an [[extended Backus–Naur form]] (EBNF) using [[JavaCCchemoinformatics]]. In contrast to the widely used [[SimplifiedSmiles moleculararbitrary input line entrytarget specification#Extensions|SMARTS]] queries, allowsMQL thisprovides definitionfor alsothe numericalspecification properties,of e.g.spatial and physicochemical properties orof distanceatoms and bonds. Furthermore canAdditionally, it becan easily be extended to handle non-atom-based graphs, calledalso known as "reduced feature" graphs.

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

== Notes and references ==

==See also==

* 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''', ASAP''47'', alert295-301. {{doi|10.1021/ci600305h}}

* [[Simplified molecular input line entry specification#Extensions|SMARTS]]

{{Reflist|2}}

==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''', ASAP alert. {{doi|10.1021/ci600305h}}

==See also==

* [[Smiles arbitrary target specification|SMARTS]]

* [[International Chemical Identifier]]

==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]]