Is EC class predictable from reaction mechanism?

Background We investigate the relationships between the EC (Enzyme Commission) class, the associated chemical reaction, and the reaction mechanism by building predictive models using Support Vector Machine (SVM), Random Forest (RF) and k-Nearest Neighbours (kNN). We consider two ways of encoding the...

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Veröffentlicht in:	BMC bioinformatics Jg. 13; H. 1; S. 60
Hauptverfasser:	Nath, Neetika, Mitchell, John BO
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	London BioMed Central 24.04.2012 BioMed Central Ltd Springer Nature B.V BMC
Schlagworte:	Algorithms Analysis Artificial Intelligence Bioinformatics Biomedical and Life Sciences Chemical reactions Chemistry Classification Cluster Analysis Computational biology Computational Biology/Bioinformatics Computer Appl. in Life Sciences Data mining Databases, Protein Enzymes Enzymes - chemistry Enzymes - classification Enzymes - metabolism Life Sciences Machine learning Microarrays Models, Chemical Oxidases Prediction models Research Article Studies Support Vector Machine Terminology as Topic United Kingdom Support Vector Machine Descriptor Space Radial Basis Function Random Forest Enzyme Commission
ISSN:	1471-2105, 1471-2105
Online-Zugang:	Volltext
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