AIMC Topic: Mass Spectrometry
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Prediction and collection of protein-metabolite interactions.
Briefings in bioinformatics
Sep 2, 2021
Interactions between proteins and small molecule metabolites play vital roles in regulating protein functions and controlling various cellular processes. The activities of metabolic enzymes, transcription factors, transporters and membrane receptors ...
Artificial intelligence for proteomics and biomarker discovery.
Cell systems
Aug 18, 2021
There is an avalanche of biomedical data generation and a parallel expansion in computational capabilities to analyze and make sense of these data. Starting with genome sequencing and widely employed deep sequencing technologies, these trends have no...
Large-scale mass spectrometry data combined with demographics analysis rapidly predicts methicillin resistance in Staphylococcus aureus.
Briefings in bioinformatics
Jul 20, 2021
BACKGROUND: A mass spectrometry-based assessment of methicillin resistance in Staphylococcus aureus would have huge potential in addressing fast and effective prediction of antibiotic resistance. Since delays in the traditional antibiotic susceptibil...
On the feasibility of deep learning applications using raw mass spectrometry data.
Bioinformatics (Oxford, England)
Jul 12, 2021
SUMMARY: In recent years, SWATH-MS has become the proteomic method of choice for data-independent-acquisition, as it enables high proteome coverage, accuracy and reproducibility. However, data analysis is convoluted and requires prior information and...
Advancements within Modern Machine Learning Methodology: Impacts and Prospects in Biomarker Discovery.
Current medicinal chemistry
Jan 1, 2021
BACKGROUND: The adoption of biomarkers as part of high-throughput, complex microarray or sequencing data has necessitated the discovery and validation of these data through machine learning. Machine learning has remained a fundamental and indispensab...
[Selenium speciation in watermelon by g-CN enrichment combined with capillary electrophoresis-inductively coupled plasma-mass spectrometry].
Se pu = Chinese journal of chromatography
Oct 8, 2020
Selenium is one of the essential trace elements in the human body, and it plays a critical role in human health. In this work, 2.0 g melamine was placed in an alumina crucible, which was heated in a box-type resistance furnace for 2 h at 600 ℃, at th...
Deep multiple instance learning classifies subtissue locations in mass spectrometry images from tissue-level annotations.
Bioinformatics (Oxford, England)
Jul 1, 2020
MOTIVATION: Mass spectrometry imaging (MSI) characterizes the molecular composition of tissues at spatial resolution, and has a strong potential for distinguishing tissue types, or disease states. This can be achieved by supervised classification, wh...
ColocML: machine learning quantifies co-localization between mass spectrometry images.
Bioinformatics (Oxford, England)
May 1, 2020
MOTIVATION: Imaging mass spectrometry (imaging MS) is a prominent technique for capturing distributions of molecules in tissue sections. Various computational methods for imaging MS rely on quantifying spatial correlations between ion images, referre...
DeepMSPeptide: peptide detectability prediction using deep learning.
Bioinformatics (Oxford, England)
Feb 15, 2020
SUMMARY: The protein detection and quantification using high-throughput proteomic technologies is still challenging due to the stochastic nature of the peptide selection in the mass spectrometer, the difficulties in the statistical analysis of the re...
The neXtProt knowledgebase in 2020: data, tools and usability improvements.
Nucleic acids research
Jan 8, 2020
The neXtProt knowledgebase (https://www.nextprot.org) is an integrative resource providing both data on human protein and the tools to explore these. In order to provide comprehensive and up-to-date data, we evaluate and add new data sets. We describ...
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