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1 H NMR based metabolic profiling in Crohn's disease by random forest methodology
Author(s) -
Fathi Fariba,
MajariKasmaee Laleh,
ManiVarnosfaderani Ahmad,
Kyani Anahita,
RostamiNejad Mohammad,
Sohrabzadeh Kaveh,
Naderi Nosratollah,
Zali Mohammad Reza,
RezaeiTavirani Mostafa,
Tafazzoli Mohsen,
ArefiOskouie Afsaneh
Publication year - 2014
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4074
Subject(s) - random forest , metabolite , chemistry , crohn's disease , disease , valine , medical diagnosis , gastroenterology , medicine , pathology , machine learning , biochemistry , amino acid , computer science
The present study was designed to search for metabolic biomarkers and their correlation with serum zinc in Crohn's disease patients. Crohn's disease (CD) is a form of inflammatory bowel disease that may affect any part of the gastrointestinal tract and can be difficult to diagnose using the clinical tests. Thus, introduction of a novel diagnostic method would be a major step towards CD treatment. Proton nuclear magnetic resonance spectroscopy ( 1 H NMR) was employed for metabolic profiling to find out which metabolites in the serum have meaningful significance in the diagnosis of CD. CD and healthy subjects were correctly classified using random forest methodology. The classification model for the external test set showed a 94% correct classification of CD and healthy subjects. The present study suggests Valine and Isoleucine as differentiating metabolites for CD diagnosis. These metabolites can be used for screening of risky samples at the early stages of CD diagnoses. Moreover, a robust random forest regression model with good prediction outcomes was developed for correlating serum zinc level and metabolite concentrations. The regression model showed the correlation (R 2 ) and root mean square error values of 0.83 and 6.44, respectively. This model suggests valuable clues for understanding the mechanism of zinc deficiency in CD patients. Copyright © 2014 John Wiley & Sons, Ltd.