AIMC Topic: Metabolomics

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Rise of Deep Learning for Genomic, Proteomic, and Metabolomic Data Integration in Precision Medicine.

Omics : a journal of integrative biology Aug 20, 2018
Machine learning (ML) is being ubiquitously incorporated into everyday products such as Internet search, email spam filters, product recommendations, image classification, and speech recognition. New approaches for highly integrated manufacturing and...
Neural Networks, Computer Genomics Proteomics Metabolomics Precision Medicine Deep Learning Machine Learning
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Detection of potential new biomarkers of atherosclerosis by probe electrospray ionization mass spectrometry.

Metabolomics : Official journal of the Metabolomic Society Feb 27, 2018
INTRODUCTION: Atherosclerotic diseases are the leading cause of death worldwide. Biomarkers of atherosclerosis are required to monitor and prevent disease progression. While mass spectrometry is a promising technique to search for such biomarkers, it...
Atherosclerosis Animals Metabolomics Rabbits Phospholipids Spectrometry, Mass, Electrospray Ionization Machine Learning Chromatography, Liquid Cholesterol Esters Biomarkers
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Application of ensemble deep neural network to metabolomics studies.

Analytica chimica acta Feb 24, 2018
Deep neural network (DNN) is a useful machine learning approach, although its applicability to metabolomics studies has rarely been explored. Here we describe the development of an ensemble DNN (EDNN) algorithm and its applicability to metabolomics s...
Deep Learning Metabolomics
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Application of kernel principal component analysis and computational machine learning to exploration of metabolites strongly associated with diet.

Scientific reports Feb 21, 2018
Computer-based technological innovation provides advancements in sophisticated and diverse analytical instruments, enabling massive amounts of data collection with relative ease. This is accompanied by a fast-growing demand for technological progress...
Humans Machine Learning Data Mining Hippurates Metabolome Principal Component Analysis Eating Diet Metabolomics
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Towards enhanced metabolomic data analysis of mass spectrometry image: Multivariate Curve Resolution and Machine Learning.

Analytica chimica acta Feb 20, 2018
Large amounts of data are generally produced from mass spectrometry imaging (MSI) experiments in obtaining the molecular and spatial information of biological samples. Traditionally, MS images are constructed using manually selected ions, and it is v...
Animals Mice Kidney Machine Learning Algorithms Multivariate Analysis Mass Spectrometry Metabolomics
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Machine learning for the meta-analyses of microbial pathogens' volatile signatures.

Scientific reports Feb 20, 2018
Non-invasive and fast diagnostic tools based on volatolomics hold great promise in the control of infectious diseases. However, the tools to identify microbial volatile organic compounds (VOCs) discriminating between human pathogens are still missing...
Chemistry Techniques, Analytical Biological Factors Metabolomics Volatile Organic Compounds Machine Learning Communicable Diseases Humans
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Application of a Deep Neural Network to Metabolomics Studies and Its Performance in Determining Important Variables.

Analytical chemistry Jan 17, 2018
Deep neural networks (DNNs), which are kinds of the machine learning approaches, are powerful tools for analyzing big sets of data derived from biological and environmental systems. However, DNNs are not applicable to metabolomics studies because the...
Animals Metabolomics Perciformes Neural Networks, Computer Machine Learning Algorithms
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Gas chromatography-mass spectrometry metabolomic study of lipopolysaccharides toxicity on rat basophilic leukemia cells.

Chemico-biological interactions Dec 22, 2017
Lipopolysaccharide (LPS) can lead to uncontrollable cytokine production, fatal sepsis syndrome and depression/multiple organ failure, as pathophysiologic demonstration. Various toxic effects of LPS have been extensively reported, mainly on the toxici...
Down-Regulation Rats Amino Acids Leukemia, Basophilic, Acute Apoptosis Principal Component Analysis Gas Chromatography-Mass Spectrometry Metabolomics Animals Lipopolysaccharides Metabolic Networks and Pathways Mast Cells Cell Line, Tumor Discriminant Analysis
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Exhaled breath condensate metabolome clusters for endotype discovery in asthma.

Journal of translational medicine Dec 22, 2017
BACKGROUND: Asthma is a complex, heterogeneous disorder with similar presenting symptoms but with varying underlying pathologies. Exhaled breath condensate (EBC) is a relatively unexplored matrix which reflects the signatures of respiratory epitheliu...
Machine Learning Algorithms Asthma Male Female Humans Exhalation Metabolomics Metabolome Breath Tests Child Cluster Analysis
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Deep Learning Accurately Predicts Estrogen Receptor Status in Breast Cancer Metabolomics Data.

Journal of proteome research Nov 27, 2017
Metabolomics holds the promise as a new technology to diagnose highly heterogeneous diseases. Conventionally, metabolomics data analysis for diagnosis is done using various statistical and machine learning based classification methods. However, it re...
Area Under Curve Receptors, Estrogen Humans Machine Learning Breast Neoplasms Female Metabolomics
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