Molecular Query Language
The Molecular Query Language (MQL) was designed to allow more complex, problem-specific search methods in
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.