Retrieval of reactions from databases Linking of reaction information from different sources Construction of knowledge bases for reaction prediction and synthesis design Automatic procedures for analyses and correlations in databases In Bioinformatics: the reconstruction of metabolic pathways from genomes requires the classification of enzymatic reactions. Why do we need to classify reactions? 3João Aires de Sousa 1. Representation of the reaction center A bond is defined as a reaction center if it is made or broken. An atom is defined as a reaction center if it changes number of implicit hydrogens, number of valencies, number of pi-electrons, atomic charge, the connecting bond is a reaction center. 2. Representation of differences be...
Living organisms can catalyze many thousands of biochemical reactions that they use to convert energ...
Metabolism can be regarded as a network of biochemical reactions, connected via their substrates and...
Organic reactions are usually assigned to classes containing reactions with similar reagents and mec...
An overview is given of the nature of, and methods for, classification of chemical reactions. Partic...
Background: Enzymes are classified in a numerical classification scheme introduced by the Nomenclatu...
When analyzing chemical reactions it is essential to know which molecules are actively involved in t...
[[abstract]]Cheminformatics has already become an integral part of the drug discovery decision-makin...
Abstract Both the automated generation of reaction networks and the automated prediction of syntheti...
The accurate representation of all aspects of a metabolic network in a structured format, such that ...
LIGAND is a composite database consisting of three sections and containing the information of chemic...
Reaction classification has important applications, and many approaches to classification have been ...
LIGAND is a composite database comprising three sections: COMPOUND for the information about metabol...
Motivation: The current paradigm for viewing metabolism, such as the Boehringer Chart or KEGG, takes...
Recent technical and analytical progress in the field of metabolomics has lead to the identification...
Classification of enzymes according to the reaction(s) catalysed is a relatively straightforward pro...
Living organisms can catalyze many thousands of biochemical reactions that they use to convert energ...
Metabolism can be regarded as a network of biochemical reactions, connected via their substrates and...
Organic reactions are usually assigned to classes containing reactions with similar reagents and mec...
An overview is given of the nature of, and methods for, classification of chemical reactions. Partic...
Background: Enzymes are classified in a numerical classification scheme introduced by the Nomenclatu...
When analyzing chemical reactions it is essential to know which molecules are actively involved in t...
[[abstract]]Cheminformatics has already become an integral part of the drug discovery decision-makin...
Abstract Both the automated generation of reaction networks and the automated prediction of syntheti...
The accurate representation of all aspects of a metabolic network in a structured format, such that ...
LIGAND is a composite database consisting of three sections and containing the information of chemic...
Reaction classification has important applications, and many approaches to classification have been ...
LIGAND is a composite database comprising three sections: COMPOUND for the information about metabol...
Motivation: The current paradigm for viewing metabolism, such as the Boehringer Chart or KEGG, takes...
Recent technical and analytical progress in the field of metabolomics has lead to the identification...
Classification of enzymes according to the reaction(s) catalysed is a relatively straightforward pro...
Living organisms can catalyze many thousands of biochemical reactions that they use to convert energ...
Metabolism can be regarded as a network of biochemical reactions, connected via their substrates and...
Organic reactions are usually assigned to classes containing reactions with similar reagents and mec...