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. The [[query language]] is based on an [[extended Backus–Naur form]] (EBNF) usingin [[JavaCCchemoinformatics]]. In contrast to the widely used [[SimplifiedSmiles moleculararbitrary input line entrytarget specification#Extensions|SMARTS]] queries, thisMQL allowsprovides for the specification of spatial and physicochemical properties of atoms and bonds. FurthermoreAdditionally, it can iteasily be easily 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 ==

* 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==

* [[SimplifiedSmiles moleculararbitrary input line entrytarget specification#Extensions|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]]