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
A query language, also known as data query language or database query language (DQL), is a computer language used to make queries in databases and information systems. In database systems, query languages rely on strict theory to retrieve informa ...
is based on an
extended Backus–Naur form
Extension, extend or extended may refer to:
Mathematics
Logic or set theory
* Axiom of extensionality
* Extensible cardinal
* Extension (model theory)
* Extension (proof theory)
* Extension (predicate logic), the set of tuples of values ...
(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.
See also
*
SMARTS
*
International Chemical Identifier
The International Chemical Identifier (InChI, pronounced ) is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on ...
External links
Java Webstart application for MQL
{{Query languages
Cheminformatics