Jump to content

Molecular Query Language

From Wikipedia, the free encyclopedia
This is an old revision of this page, as edited by GregorB (talk | contribs) at 09:26, 8 October 2012 (Bold title). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

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.

See also

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
Retrieved from "https://en.wikipedia.org/w/index.php?title=Molecular_Query_Language&oldid=516603820"