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MetabolomicsImprovement of prediction ability by integrating multi-omic datasets in barley

BACKGROUND: Genomic prediction (GP) based on single nucleotide polymorphisms (SNP) has become a broadly used tool to increase the gain of selection in plant breeding. However, using predictors that are biologically closer to the phenotypes such as transcriptome and metabolome may...

2022-03-18 | MTBLS1561 | MetaboLights
MetabolomicsMachine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites
In gas chromatography-mass spectrometry-based untargeted metabolomics, metabolites are identified by comparing mass spectra and chromatographic retention time with reference databases or standard materials. In that sense, machine learning has been used to predict the retention time of metabolites la...
2022-05-26 | MTBLS2841 | MetaboLights
MetabolomicsPrediction of complex phenotypes using the Drosophila melanogaster metabolome
Understanding the genotype-phenotype map and how variation at different levels of biological organization is associated are central topics in modern biology. Fast developments in sequencing technologies and other molecular omic tools enable researchers to obtain detailed information on variation at ...
2021-08-05 | MTBLS2060 | MetaboLights
MetabolomicsDisease phenotype prediction in multiple sclerosis

Progressive multiple sclerosis (PMS) is currently diagnosed retrospectively. Here, we work towards a set of biomarkers that could assist in early diagnosis of PMS. A selection of cerebrospinal fluid metabolites (n=15) was shown to differentiate between PMS and its preceding phenotype in an indepe...

2023-05-31 | MTBLS1464 | MetaboLights
MetabolomicsA novel strategy for mining and identification of acylcarnitines using data-independent-acquisition (DIA) based retention time prediction modeling and pseudo-characteristic fragmentation ions matching
It is a challenging work to screen, identify, and quantify acylcarnitines in complex biological samples. A method, based on the retention time (RT) prediction and data-independent acquisition strategies, was proposed for the large-scale identification of acylcarnitines using liquid chromatography co...
2021-10-06 | MTBLS1932 | MetaboLights
MetabolomicsMetabolome-based prediction of yield heterosis contributes to the breeding of elite rice
The improvement of breeding efficiencies for heterotic and climate-resilient crops can mitigate the food shortage crisis from overpopulation and climate change. Thus far, diverse molecular markers have been utilized for guiding field phenotypic selections, while the accurate predictions of complex h...
2019-12-10 | MTBLS742 | MetaboLights
MetabolomicsAn explainable prognostic prediction panel for sepsis based on serum amino acid profiles

Sepsis is a life-threatening syndrome requiring aggressive management, and novel noninvasive biomarkers to enable risk stratification of sepsis with high confidence and to predict the sepsis-related outcomes are urgently needed. 

A mass spectrometry–based quantitative method was used t...

2026-05-24 | MTBLS14567 | MetaboLights
MetabolomicsSerum Predose Metabolic Profiling For Prediction Of Rosuvastatin Pharmacokinetic Parameters In Healthy Volunteers
Rosuvastatin is a quite known lipid-lowering agent generally used for hypercholesterolemia treatment and coronary artery diseases prevention. There is substantial inter-individual variability in the absorption of statins usually caused by genetic polymorphisms leading to variation in the correspondi...
2021-10-29 | MTBLS3128 | MetaboLights
MetabolomicsPlasma metabolomic profiling for hepatocellular carcinoma diagnosis and microvascular invasion prediction
Altered metabolites play a crucial role in the development and progression of hepatocellular carcinoma (HCC). In this study, an untargeted metabolomic analysis was conducted to identify novel biomarkers with high sensitivity and specificity for the early detection of HCC and to explore their functio...
2025-07-02 | MTBLS11996 | MetaboLights
MetabolomicsAroma and quality of breads baked from old and modern wheat varieties and their prediction from genomic and flour-based metabolite profiles
Bread aroma is the principal characteristic perceived by the consumer yet it is mostly disregarded in the product chain. The main aim of this study was to evaluate the potential to include bread aroma as a new target criterion into the wheat product chain. The objectives of our study were to (i) qua...
2019-11-12 | MTBLS1187 | MetaboLights
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