Molecular Query Language: Difference between revisions

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Line 1: 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_specification~~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. The [[query language]] is based on an [[extended Backus–Naur form]] (EBNF) using [[JavaCC]]. == Notes and references == * E. Proschak, J. K. Wegner, A. ~~Schüller~~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}}▼ {{Reflist\|2}} ==See also== * [[~~Smiles_arbitrary_target_specification~~Smiles 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}}