Molecular Query Language
Encyclopedia
The Molecular Query Language (MQL) was designed to allow more complex, problem-specific search methods in chemoinformatics. ((more than what?))
The query language
is based on an extended Backus–Naur form
(EBNF) using JavaCC
. In contrast to 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
Query language
Query languages are computer languages used to make queries into databases and information systems.Broadly, query languages can be classified according to whether they are database query languages or information retrieval query languages...
is based on an extended Backus–Naur form
Extended Backus–Naur form
In computer science, Extended Backus–Naur Form is a family of metasyntax notations used for expressing context-free grammars: that is, a formal way to describe computer programming languages and other formal languages. They are extensions of the basic Backus–Naur Form metasyntax notation.The...
(EBNF) using JavaCC
JavaCC
JavaCC is an open source parser generator and lexical analyzer generator for the Java programming language. JavaCC is similar to yacc in that it generates a parser from a formal grammar written in EBNF notation, except the output is Java source code...
. In contrast to SMARTS
Smiles arbitrary target specification
SMiles ARbitrary Target Specification is a language for specifying substructural patterns in molecules. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification and atom typing....
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.
See also
- SMARTSSmiles arbitrary target specificationSMiles ARbitrary Target Specification is a language for specifying substructural patterns in molecules. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification and atom typing....
- International Chemical IdentifierInternational Chemical IdentifierThe IUPAC International Chemical Identifier is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web...