منابع مشابه
Automatic Assignment of EC Numbers
A wide range of research areas in molecular biology and medical biochemistry require a reliable enzyme classification system, e.g., drug design, metabolic network reconstruction and system biology. When research scientists in the above mentioned areas wish to unambiguously refer to an enzyme and its function, the EC number introduced by the Nomenclature Committee of the International Union of B...
متن کاملAutomatic Assignment of Full EC Numbers Based on Structural Changes of Chemical Compounds
We have developed an algorithm for automatically assigning full EC numbers given chemical structures of substrates and products. The EC system is a hierarchical classification of enzymatic reactions divided into four levels, each represented by a unique number. The first three levels define the reaction type, and the fourth, assigned serially, defines the substrate specificity. Although EC numb...
متن کاملGenome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps
MOTIVATION The automatic perception of chemical similarities between metabolic reactions is required for a variety of applications ranging from the computer-aided validation of classification systems, to genome-scale reconstruction (or comparison) of metabolic pathways, to the classification of enzymatic mechanisms. Comparison of metabolic reactions has been mostly based on Enzyme Commission (E...
متن کاملAssignment of EC Numbers to Enzymatic Reactions with MOLMAP Reaction Descriptors and Random Forests
The MOLMAP descriptor relies on a Kohonen SOM that defines types of covalent bonds on the basis of their physicochemical and topological properties. The MOLMAP descriptor of a molecule represents the types of bonds available in that molecule. The MOLMAP descriptor of a reaction is defined as the difference between the MOLMAPs of the products and the reactants and numerically encodes the pattern...
متن کاملAssignment of EC Numbers to Enzymatic Reactions with Reaction Difference Fingerprints
The EC numbers represent enzymes and enzyme genes (genomic information), but they are also utilized as identifiers of enzymatic reactions (chemical information). In the present work (ECAssigner), our newly proposed reaction difference fingerprints (RDF) are applied to assign EC numbers to enzymatic reactions. The fingerprints of reactant molecules minus the fingerprints of product molecules wil...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: PLoS Computational Biology
سال: 2010
ISSN: 1553-7358
DOI: 10.1371/journal.pcbi.1000661