AIMC Topic: Mass Spectrometry

Clear Filters Showing 151 to 160 of 275 articles

How to Apply Supervised Machine Learning Tools to MS Imaging Files: Case Study with Cancer Spheroids Undergoing Treatment with the Monoclonal Antibody Cetuximab.

Journal of the American Society for Mass Spectrometry Jun 10, 2020
As the field of mass spectrometry imaging continues to grow, so too do its needs for optimal methods of data analysis. One general need in image analysis is the ability to classify the underlying regions within an image, as healthy or diseased, for e...
Humans Supervised Machine Learning Neoplasms Image Processing, Computer-Assisted Spheroids, Cellular Mass Spectrometry Tumor Cells, Cultured Metabolome Cetuximab
View on PubMed DOI

PB-Net: Automatic peak integration by sequential deep learning for multiple reaction monitoring.

Journal of proteomics May 13, 2020
Mass spectrometry (MS) based proteomics has become an indispensable component of modern molecular and cellular biochemistry analysis. Multiple reaction monitoring (MRM) is one of the most well-established MS techniques for molecule detection and quan...
Mass Spectrometry Peptides Deep Learning Proteomics Humans Software
View on PubMed DOI

EnvCNN: A Convolutional Neural Network Model for Evaluating Isotopic Envelopes in Top-Down Mass-Spectral Deconvolution.

Analytical chemistry May 13, 2020
Top-down mass spectrometry has become the main method for intact proteoform identification, characterization, and quantitation. Because of the complexity of top-down mass spectrometry data, spectral deconvolution is an indispensable step in spectral ...
Zebrafish Mass Spectrometry Humans Databases, Protein Neural Networks, Computer Ovarian Neoplasms Female Animals Machine Learning Brain
View on PubMed DOI

NormAE: Deep Adversarial Learning Model to Remove Batch Effects in Liquid Chromatography Mass Spectrometry-Based Metabolomics Data.

Analytical chemistry Mar 24, 2020
Untargeted metabolomics based on liquid chromatography-mass spectrometry is affected by nonlinear batch effects, which cover up biological effects, result in nonreproducibility, and are difficult to be calibrate. In this study, we propose a novel dee...
Quality Control Calibration Mass Spectrometry Metabolomics Chromatography, Liquid Deep Learning
View on PubMed DOI

Identification of the Species Constituents of Maggot Populations Feeding on Decomposing Remains-Facilitation of the Determination of Post Mortem Interval and Time Since Tissue Infestation through Application of Machine Learning and Direct Analysis in Real Time-Mass Spectrometry.

Analytical chemistry Mar 12, 2020
The utilization of entomological specimens such as larvae (maggots) for the estimation of time since oviposition (i.e., egg laying) for post mortem interval determination, or for estimation of time since tissue infestation (in investigations of elder...
Oviposition Animals Larva Time Factors Mass Spectrometry Insecta Forensic Sciences Machine Learning
View on PubMed DOI

Using isotopic envelopes and neural decision tree-based in silico fractionation for biomolecule classification.

Analytica chimica acta Feb 20, 2020
Untargeted mass spectrometry (MS) workflows are more suitable than targeted workflows for high throughput characterization of complex biological samples. However, analysis workflows for untargeted methods are inadequate for characterization of comple...
Neural Networks, Computer Decision Trees Mass Spectrometry Computer Simulation Peptides Lipids
View on PubMed DOI

A machine learning approach for handling big data produced by high resolution mass spectrometry after data independent acquisition of small molecules - Proof of concept study using an artificial neural network for sample classification.

Drug testing and analysis Feb 6, 2020
Liquid chromatography coupled to high-resolution mass spectrometry (HRMS) enables data independent acquisition (DIA) and untargeted screening. However, to avoid the handling of the resulting large dataset, most laboratories in that field still use ta...
Machine Learning Reproducibility of Results Sensitivity and Specificity Humans Neural Networks, Computer Substance Abuse Detection Proof of Concept Study Small Molecule Libraries Cocaine Big Data Mass Spectrometry Chromatography, Liquid Zolpidem
View on PubMed DOI

Rapid Assessment of Opioid Exposure and Treatment in Cities Through Robotic Collection and Chemical Analysis of Wastewater.

Journal of medical toxicology : official journal of the American College of Medical Toxicology Jan 9, 2020
INTRODUCTION: Accurate data regarding opioid use, overdose, and treatment is important in guiding community efforts at combating the opioid epidemic. Wastewater-based epidemiology (WBE) is a potential method to quantify community-level trends of opio...
Mass Spectrometry Narcotic Antagonists Water Pollutants, Chemical Opioid Epidemic Robotics Middle Aged Opioid-Related Disorders Substance-Related Disorders Environmental Monitoring Solid Phase Extraction North Carolina Feasibility Studies Female Urban Health Naloxone Humans Analgesics, Opioid Adult Wastewater Male
View on PubMed DOI

In silico spectral libraries by deep learning facilitate data-independent acquisition proteomics.

Nature communications Jan 9, 2020
Data-independent acquisition (DIA) is an emerging technology for quantitative proteomic analysis of large cohorts of samples. However, sample-specific spectral libraries built by data-dependent acquisition (DDA) experiments are required prior to DIA ...
Deep Learning Data Science Cell Line, Tumor Mice Peptide Library Computational Biology Computer Simulation Animals Peptides Humans Databases, Protein Proteomics HeLa Cells Proteome Serum Mass Spectrometry
View on PubMed DOI

The METLIN small molecule dataset for machine learning-based retention time prediction.

Nature communications Dec 20, 2019
Machine learning has been extensively applied in small molecule analysis to predict a wide range of molecular properties and processes including mass spectrometry fragmentation or chromatographic retention time. However, current approaches for retent...
Models, Chemical Small Molecule Libraries Deep Learning Datasets as Topic Time Factors Chromatography, Reverse-Phase Mass Spectrometry
View on PubMed DOI
Popular Topics
Recent Journals