AIMC Topic: Metabolome

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Architectures and accuracy of artificial neural network for disease classification from omics data.

BMC genomics Mar 4, 2019
BACKGROUND: Deep learning has made tremendous successes in numerous artificial intelligence applications and is unsurprisingly penetrating into various biomedical domains. High-throughput omics data in the form of molecular profile matrices, such as ...
Logistic Models Support Vector Machine Metabolome Bayes Theorem Algorithms Gene Expression Profiling Deep Learning Artificial Intelligence Machine Learning Humans Neural Networks, Computer
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UHPLC-MS/MS method for simultaneous determination of carbamazepine and its seven major metabolites in serum of epileptic patients.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences Dec 14, 2018
Carbamazepine (CBZ) was considered as the drug of choice in the treatment for various forms of epilepsy, yet the non-negligible adverse effects of CBZ suspend as the major concern for rational and efficient clinical medication. This study developed a...
Humans Metabolome Epilepsy Carbamazepine Drug Monitoring Dibenzazepines Tandem Mass Spectrometry Chromatography, High Pressure Liquid Acridines
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Bounded Fuzzy Possibilistic Method Reveals Information about Lung Cancer through Analysis of Metabolomics.

IEEE/ACM transactions on computational biology and bioinformatics Sep 12, 2018
Learning methods, such as conventional clustering and classification, have been applied in diagnosing diseases to categorize samples based on their features. Going beyond clustering samples, membership degrees represent to what degree each sample bel...
Cluster Analysis Humans Metabolomics Case-Control Studies Machine Learning Lung Neoplasms Algorithms Metabolome Fuzzy Logic
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A metabolomics-based approach for non-invasive screening of fetal central nervous system anomalies.

Metabolomics : Official journal of the Metabolomic Society May 25, 2018
BACKGROUND: Central nervous system anomalies represent a wide range of congenital birth defects, with an incidence of approximately 1% of all births. They are currently diagnosed using ultrasound evaluation. However, there is strong need for a more a...
Pregnancy Trimester, Second Adult Fetal Diseases Pregnancy Humans Prenatal Care Fetus Gas Chromatography-Mass Spectrometry Female Prospective Studies Case-Control Studies Nervous System Malformations Neonatal Screening Pilot Projects Infant, Newborn Biomarkers Metabolome
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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 Principal Component Analysis Eating Data Mining Hippurates Diet Metabolomics Metabolome
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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...
Child Cluster Analysis Metabolomics Exhalation Algorithms Humans Asthma Metabolome Female Machine Learning Breath Tests Male
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Predicting novel substrates for enzymes with minimal experimental effort with active learning.

Metabolic engineering Oct 10, 2017
Enzymatic substrate promiscuity is more ubiquitous than previously thought, with significant consequences for understanding metabolism and its application to biocatalysis. This realization has given rise to the need for efficient characterization of ...
Metabolome Models, Biological Support Vector Machine Escherichia coli
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Rapid characterization of metabolites in soybean using ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q-TOF-MS/MS) and screening for α-glucosidase inhibitory and antioxidant properties through different solvent systems.

Journal of food and drug analysis Jun 15, 2017
This work was the first to investigate on the simultaneous characterization of metabolite profiles in soybean using UPLC-ESI-Q-TOF-MS/MS. Twenty two compositions were observed within 14 min from the methanol extract and confirmed as twelve isoflavone...
Chromatography, High Pressure Liquid Tandem Mass Spectrometry Spectrometry, Mass, Electrospray Ionization Glycoside Hydrolase Inhibitors Glycine max Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization Solvents Metabolome Phytochemicals Molecular Structure Antioxidants Plant Extracts Metabolomics Isoflavones
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A novel metabolomic aging score - better than conventional metrics in predicting short-term mortality.

Expert review of molecular diagnostics Jul 1, 2025
INTRODUCTION: Accurate prediction of short-term mortality is crucial for optimizing clinical prognosis and providing treatment decisions. Conventional metrics, including physiological indicators, laboratory indexes and scoring systems, suffer from li...
Aging Metabolomics Metabolome Mortality Humans Biomarkers Prognosis
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Early Prediction of Septic Shock in Emergency Department Using Serum Metabolites.

Journal of the American Society for Mass Spectrometry Jun 4, 2025
Early recognition of septic shock is crucial for improving clinical management and patient outcomes, especially in the emergency department (ED). This study conducted serum metabolomic profiling on ED patients diagnosed with septic shock (n = 32) and...
Early Diagnosis Male Middle Aged Shock, Septic Metabolome Emergency Service, Hospital Mass Spectrometry Metabolomics Female Aged Humans Adult Machine Learning Algorithms Biomarkers
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