Molecular Query Language

The Molecular Query Language (MQL) was designed for allowing more complex and problem specific search methods. The query language is based on an extended Backus–Naur form (EBNF) using JavaCC. In contrast to SMARTS queries this allows the specification of spatial and physicochemical properties of atoms and bonds. Furthermore can it be easily extended to non-atom-based graphs, called reduced feature graphs.

See also

• 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