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

chemoinformatics Cheminformatics (also known as chemoinformatics) refers to use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive proble ...

. 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 Query languages, data query languages or database query languages (DQL) are computer languages used to make queries in databases and information systems. A well known example is the Structured Query Language (SQL). Types Broadly, query language ...

is based on an

extended Backus–Naur form In computer science, extended Backus–Naur form (EBNF) is a family of metasyntax notations, any of which can be used to express a context-free grammar. EBNF is used to make a formal description of a formal language such as a computer programmi ...

(EBNF) using

JavaCC JavaCC (Java Compiler Compiler) is an open-source parser generator and lexical analyzer generator written in the Java programming language. JavaCC is similar to yacc in that it generates a parser from a formal grammar written in EBNF notation. ...

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.

External links

Java Webstart application for MQL
{{Query languages Cheminformatics

Notes and references

See also

External links