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Molecular Query Language

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Title: Molecular Query Language  
Author: World Heritage Encyclopedia
Language: English
Subject: Query language, ISBL, Contextual Query Language, QUEL query languages, .QL
Collection: Cheminformatics
Publisher: World Heritage Encyclopedia

Molecular Query Language

The Molecular Query Language (MQL) was designed to allow more complex, problem-specific search methods in chemoinformatics. In contrast to the widely used 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, 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

See also

External links

  • Java Webstart application for MQL
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