AIMC Topic: Mass Spectrometry
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Graph of graphs analysis for multiplexed data with application to imaging mass cytometry.
PLoS computational biology
Mar 29, 2021
Imaging Mass Cytometry (IMC) combines laser ablation and mass spectrometry to quantitate metal-conjugated primary antibodies incubated in intact tumor tissue slides. This strategy allows spatially-resolved multiplexing of dozens of simultaneous prote...
Interpretable machine learning model to detect chemically adulterated urine samples analyzed by high resolution mass spectrometry.
Clinical chemistry and laboratory medicine
Mar 22, 2021
OBJECTIVES: Urine sample manipulation including substitution, dilution, and chemical adulteration is a continuing challenge for workplace drug testing, abstinence control, and doping control laboratories. The simultaneous detection of sample manipula...
Assessment of an Exhaled Breath Test Using High-Pressure Photon Ionization Time-of-Flight Mass Spectrometry to Detect Lung Cancer.
JAMA network open
Mar 1, 2021
IMPORTANCE: Exhaled breath is an attractive option for cancer detection. A sensitive and reliable breath test has the potential to greatly facilitate diagnoses and therapeutic monitoring of lung cancer.
Cognitive analysis of metabolomics data for systems biology.
Nature protocols
Jan 22, 2021
Cognitive computing is revolutionizing the way big data are processed and integrated, with artificial intelligence (AI) natural language processing (NLP) platforms helping researchers to efficiently search and digest the vast scientific literature. M...
Phytochemical, antibacterial, antioxidant and cytoxicity investigation of .
Zeitschrift fur Naturforschung. C, Journal of biosciences
Dec 17, 2020
The phytochemical investigation of led to the isolation of 18 known compounds of which were four flavones, three anthraquinones, one phenyl propanoic derivative, five triterpenoids, four steroids and a mixture of glucose. Luteolin () and soranjidiol...
A Customizable Analysis Flow in Integrative Multi-Omics.
Biomolecules
Nov 27, 2020
The number of researchers using multi-omics is growing. Though still expensive, every year it is cheaper to perform multi-omic studies, often exponentially so. In addition to its increasing accessibility, multi-omics reveals a view of systems biology...
Machine learning guided prediction of liquid chromatography-mass spectrometry ionization efficiency for genotoxic impurities in pharmaceutical products.
Journal of pharmaceutical and biomedical analysis
Nov 20, 2020
The limitation and control of genotoxic impurities (GTIs) has continued to receive attention from pharmaceutical companies and authorities for several decades. Because GTIs have the ability to damage deoxyribonucleic acid (DNA) and the potential to c...
Adapting a Low-Cost and Open-Source Commercial Pipetting Robot for Nanoliter Liquid Handling.
SLAS technology
Nov 19, 2020
Low-volume liquid handling capabilities in bioanalytical workflows can dramatically improve sample processing efficiency and reduce reagent costs, yet many commercial nanoliter liquid handlers cost tens of thousands of dollars or more. We have succes...
Cumulative learning enables convolutional neural network representations for small mass spectrometry data classification.
Nature communications
Nov 5, 2020
Rapid and accurate clinical diagnosis remains challenging. A component of diagnosis tool development is the design of effective classification models with Mass spectrometry (MS) data. Some Machine Learning approaches have been investigated but these ...
MetaClean: a machine learning-based classifier for reduced false positive peak detection in untargeted LC-MS metabolomics data.
Metabolomics : Official journal of the Metabolomic Society
Oct 21, 2020
INTRODUCTION: Despite the availability of several pre-processing software, poor peak integration remains a prevalent problem in untargeted metabolomics data generated using liquid chromatography high-resolution mass spectrometry (LC-MS). As a result,...
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