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Article Gastroenterology and Hepatology from Bed to Bench ; Volume 6, Issue SUPPL , 2013 , Pages S19-S22 ; 2008-4234 (EISSN) ; Ektefa, F ; Hagh-Azali, M ; Aghdaie, H. A ; Sharif University of Technology
Metabonomics and other "omic" fields are essential science in analytical chemistry. Modern analytical instruments such as proton nuclear magnetic resonance (1H-NMR) can provide the great quantity of analytical information. In order to assign unknown samples, chemometric methods recognition build classification model based on experimental data. Firstly, some current strategies regarding disease diagnosis are exhibited in metabonomic studies. Some diseases such as crohn's disease can be difficult to diagnose since its signs and symptoms may be similar to other medical problems or often mimic other symptoms. Applications of NMR and supervised pattern recognition in the field of metabonomics are...
Artificial neural network aided estimation of the electrochemical signals of monosaccharides on gold electrode, Article Carbohydrate Research ; Volume 343, Issue 8 , 2008 , Pages 1359-1365 ; 00086215 (ISSN) ; Sadeghpour Dilmaghani, A ; Sharif University of Technology
Artificial neural networks were used to predict the oxidation peaks potentials of 7 monosaccharides under linear sweep voltammetry regime. Two sets of descriptors, one based on molecular properties calculated through DFT and another based on simple geometric distributions of hydroxyl groups and asymmetric carbon atoms along molecular chains, were employed to introduce the molecules to networks. Relatively, simple networks of (3,3,1) and (3,3,3,1) structures with the number of epochs not exceeding 15 through training process were capable of correctly predicting the peaks positions with R values in the range of 0.97-0.99. © 2008 Elsevier Ltd. All rights reserved