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Book ChapterDOI

SABIO-RK: integration and curation of reaction kinetics data

TLDR
SABIO-RK is a curated database with information about biochemical reactions and their kinetic properties, which contains and merges information about reactions such as reactants and modifiers, organism, tissue and cellular location, as well as the kinetic properties of the reactions.
Abstract
Simulating networks of biochemical reactions require reliable kinetic data. In order to facilitate the access to such kinetic data we have developed SABIO-RK, a curated database with information about biochemical reactions and their kinetic properties. The data are manually extracted from literature and verified by curators, concerning standards, formats and controlled vocabularies. This process is supported by tools in a semi-automatic manner. SABIO-RK contains and merges information about reactions such as reactants and modifiers, organism, tissue and cellular location, as well as the kinetic properties of the reactions. The type of the kinetic mechanism, modes of inhibition or activation, and corresponding rate equations are presented together with their parameters and measured values, specifying the experimental conditions under which these were determined. Links to other databases enable the user to gather further information and to refer to the original publication. Information about reactions and their kinetic data can be exported to an SBML file, allowing users to employ the information as the basis for their simulation models.

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Journal ArticleDOI

The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013

TL;DR: This work has completely aligned the ontology with the Open Biomedical Ontologies (OBO) Foundry-recommended upper level Basic Formal Ontology, and as a result of this effort, the majority of chemical-involving processes in GO are now defined in terms of the ChEBI entities that participate in them.
Journal ArticleDOI

CellDesigner 3.5: A Versatile Modeling Tool for Biochemical Networks

TL;DR: In this article, the authors developed a modeling/simulating tool called CellDesigner, which can visualize, model, and simulate gene-regulatory and biochemical networks using SBML as a model-describing basis.
Journal ArticleDOI

Chemical Entities of Biological Interest: an update

TL;DR: New features in ChEBI since the last NAR report in 2007 are reported, including substructure and similarity searching, a submission tool for authoring of ChE BI datasets by the community and a 30-fold increase in the number of chemical structures stored in Ch EBI.
Journal ArticleDOI

myExperiment: a repository and social network for the sharing of bioinformatics workflows

TL;DR: MyExperiment is an online research environment that supports the social sharing of bioinformatics workflows consisting of a series of computational tasks using web services, which may be performed on data from its retrieval, integration and analysis, to the visualization of the results.
References
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TL;DR: This chapter discusses the construction of Benzenoid and Coronoid Hydrocarbons through the stages of enumeration, classification, and topological properties in a number of computers used for this purpose.
Journal ArticleDOI

The Universal Protein Resource (UniProt)

TL;DR: During 2004, tens of thousands of Knowledgebase records got manually annotated or updated; the UniProt keyword list got augmented by additional keywords; the documentation of the keywords and are continuously overhauling and standardizing the annotation of post-translational modifications.
Journal ArticleDOI

The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models.

TL;DR: This work summarizes the Systems Biology Markup Language (SBML) Level 1, a free, open, XML-based format for representing biochemical reaction networks, a software-independent language for describing models common to research in many areas of computational biology.
Journal ArticleDOI

From genomics to chemical genomics: new developments in KEGG

TL;DR: The scope of KEGG LIGAND has been significantly expanded to cover both endogenous and exogenous molecules, and RPAIR contains curated chemical structure transformation patterns extracted from known enzymatic reactions, which would enable analysis of genome-environment interactions.
Journal ArticleDOI

BRENDA, the enzyme database: updates and major new developments

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