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Prediction of oxidoreductase-catalyzed reactions based on atomic properties of metabolites
Author(s) -
Fangping Mu,
Pat J. Unkefer,
Clifford J. Ünkefer,
William S. Hlavacek
Publication year - 2006
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btl535
Subject(s) - false positive paradox , kegg , support vector machine , chemistry , computer science , classifier (uml) , training set , catalysis , combinatorial chemistry , computational biology , biological system , artificial intelligence , biochemistry , biology , gene , gene expression , transcriptome
Our knowledge of metabolism is far from complete, and the gaps in our knowledge are being revealed by metabolomic detection of small-molecules not previously known to exist in cells. An important challenge is to determine the reactions in which these compounds participate, which can lead to the identification of gene products responsible for novel metabolic pathways. To address this challenge, we investigate how machine learning can be used to predict potential substrates and products of oxidoreductase-catalyzed reactions.

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