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Metabolomics

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Metabonomics of d-glucaro-1,4-lactone in preventing diethylnitrosamine-induced liver cancer in rats.

Pharmaceutical biology
CONTEXT: d-Glucaro-1,4-lactone (1,4-GL) exists in many vegetables and fruits. Metabonomics has not been used to investigate the role of 1,4-GL in preventing liver cancer.

IMass Time: The Future, in Future!

Omics : a journal of integrative biology
Joseph John Thomson discovered and proved the existence of electrons through a series of experiments. His work earned him a Nobel Prize in 1906 and initiated the era of mass spectrometry (MS). In the intervening time, other researchers have also been...

Osteosarcoma Patients Classification Using Plain X-Rays and Metabolomic Data.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Osteosarcoma is the most common type of bone cancer. The primary means of osteosarcoma diagnosis is through evaluating plain x-rays. Using image analysis techniques, features that clinicians use to diagnose osteosarcoma can be quantified and studied ...

Considerations for automated machine learning in clinical metabolic profiling: Altered homocysteine plasma concentration associated with metformin exposure.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
With the maturation of metabolomics science and proliferation of biobanks, clinical metabolic profiling is an increasingly opportunistic frontier for advancing translational clinical research. Automated Machine Learning (AutoML) approaches provide ex...

OLS Client and OLS Dialog: Open Source Tools to Annotate Public Omics Datasets.

Proteomics
The availability of user-friendly software to annotate biological datasets and experimental details is becoming essential in data management practices, both in local storage systems and in public databases. The Ontology Lookup Service (OLS, http://ww...

Evaluation of Machine Learning Methods to Predict Coronary Artery Disease Using Metabolomic Data.

Studies in health technology and informatics
Metabolomic data can potentially enable accurate, non-invasive and low-cost prediction of coronary artery disease. Regression-based analytical approaches however might fail to fully account for interactions between metabolites, rely on a priori selec...

Fast metabolite identification with Input Output Kernel Regression.

Bioinformatics (Oxford, England)
MOTIVATION: An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching t...

Optimizing artificial neural network models for metabolomics and systems biology: an example using HPLC retention index data.

Bioanalysis
BACKGROUND: Artificial Neural Networks (ANN) are extensively used to model 'omics' data. Different modeling methodologies and combinations of adjustable parameters influence model performance and complicate model optimization.