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Metabolome

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FOBI: an ontology to represent food intake data and associate it with metabolomic data.

Database : the journal of biological databases and curation
Nutrition research can be conducted by using two complementary approaches: (i) traditional self-reporting methods or (ii) via metabolomics techniques to analyze food intake biomarkers in biofluids. However, the complexity and heterogeneity of these t...

Bounded Fuzzy Possibilistic Method Reveals Information about Lung Cancer through Analysis of Metabolomics.

IEEE/ACM transactions on computational biology and bioinformatics
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...

A directed learning strategy integrating multiple omic data improves genomic prediction.

Plant biotechnology journal
Genomic prediction (GP) aims to construct a statistical model for predicting phenotypes using genome-wide markers and is a promising strategy for accelerating molecular plant breeding. However, current progress of phenotype prediction using genomic d...

Antibiotic resistance and metabolic profiles as functional biomarkers that accurately predict the geographic origin of city metagenomics samples.

Biology direct
BACKGROUND: The availability of hundreds of city microbiome profiles allows the development of increasingly accurate predictors of the origin of a sample based on its microbiota composition. Typical microbiome studies involve the analysis of bacteria...

Classification of alkaloids according to the starting substances of their biosynthetic pathways using graph convolutional neural networks.

BMC bioinformatics
BACKGROUND: Alkaloids, a class of organic compounds that contain nitrogen bases, are mainly synthesized as secondary metabolites in plants and fungi, and they have a wide range of bioactivities. Although there are thousands of compounds in this class...

Discovery of food identity markers by metabolomics and machine learning technology.

Scientific reports
Verification of food authenticity establishes consumer trust in food ingredients and components of processed food. Next to genetic or protein markers, chemicals are unique identifiers of food components. Non-targeted metabolomics is ideally suited to...

Anticancer Drug Affects Metabolomic Profiles in Multicellular Spheroids: Studies Using Mass Spectrometry Imaging Combined with Machine Learning.

Analytical chemistry
Multicellular spheroids (hereinafter referred to as spheroids) are 3D biological models. The metabolomic profiles inside spheroids provide crucial information reflecting the molecular phenotypes and microenvironment of cells. To study the influence o...

Trace, Machine Learning of Signal Images for Trace-Sensitive Mass Spectrometry: A Case Study from Single-Cell Metabolomics.

Analytical chemistry
Recent developments in high-resolution mass spectrometry (HRMS) technology enabled ultrasensitive detection of proteins, peptides, and metabolites in limited amounts of samples, even single cells. However, extraction of trace-abundance signals from c...

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

BMC genomics
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 ...