1H NMR based metabolic profiling in Crohn's disease by random forest methodology.
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.
Department of Chemistry, Sharif University of Technology, Tehran, Iran.
Fariba
F
Fathi
Laleh
L
Majari-Kasmaee
Ahmad
A
Mani-Varnosfaderani
Anahita
A
Kyani
Mohammad
M
Rostami-Nejad
Kaveh
K
Sohrabzadeh
Nosratollah
N
Naderi
Mohammad Reza
MR
Zali
Mostafa
M
Rezaei-Tavirani
Mohsen
M
Tafazzoli
Afsaneh
A
Arefi-Oskouie
D000465:Algorithms; D015415:Biomarkers / Q000378:metabolism; D003198:Computer Simulation; D003424:Crohn Disease / Q000097:blood* / Q000175:diagnosis*; D003627:Data Interpretation, Statistical; D005260:Female; D020869:Gene Expression Profiling / Q000379:methods; D006801:Humans; D008297:Male; D008954:Models, Biological; D066244:Proton Magnetic Resonance Spectroscopy / Q000379:methods*; D012044:Regression Analysis; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D055815:Young Adult; D015032:Zinc / Q000097:blood*
D015415:Biomarkers; D015032:Zinc
Crohn's disease; metabonomics; nuclear magnetic resonance spectroscopy; random forest; zinc