title: Simultaneous modelling of metabolic, genetic and product-interaction networks.
abstract: The creation of cell models from annotated genome information, as well as additional data from other databases, requires both a format and medium for its distribution. Standards are described for the representation of the data in the form of Document Type Definitions (DTDs) for XML files. Separate DTDs are detailed for genetic, metabolic and gene product-interaction networks, which can be used to hold information on individual subsystems, or which may be combined to create a whole cell DTD. In the execution of this work, a fifth DTD was also created for a metabolite thesaurus, which allows incorporation of metabolite synonyms and generic nomenclature data into the models. A gene-regulation classification scheme was also created, to facilitate incorporation of gene regulatory information in an efficient manner. The work is described with particular reference to the metabolic network of Escherichia coli, which contains 808 individual enzymes. The assignment of confidence levels to these data, through the use of Gene Ontology evidence codes, is highlighted. In silico investigations may now be performed using the mathematical simulation workbench, DBsolve, which incorporates the facility to introduce data directly from XML.
authors.affiliation: Medicines Research Centre, GlaxoSmithKline Pharmaceuticals, UK. ncj10219@gsk.com
authors.forename: N S
authors.initials: NS
authors.lastname: Juty
authors.forename: H D
authors.initials: HD
authors.lastname: Spence
authors.forename: H R
authors.initials: HR
authors.lastname: Hotz
authors.forename: H
authors.initials: H
authors.lastname: Tang
authors.forename: I
authors.initials: I
authors.lastname: Goryanin
authors.forename: T C
authors.initials: TC
authors.lastname: Hodgman
mesh_terms: D019295:Computational Biology; D004926:Escherichia coli / Q000201:enzymology / Q000235:genetics; D016680:Genome, Bacterial; D006801:Humans; D008660:Metabolism / Q000502:physiology*; D008954:Models, Biological; D011381:Programming Languages; D025941:Protein Interaction Mapping; D012984:Software; D009626:Terminology as Topic; D014481:United States