AIMC Topic: Mass Spectrometry
Clear Filters Showing 31 to 40 of 274 articles
Uncertainty Quantification and Flagging of Unreliable Predictions in Predicting Mass Spectrometry-Related Properties of Small Molecules Using Machine Learning.
International journal of molecular sciences
Dec 5, 2024
Mass spectral identification (in particular, in metabolomics) can be refined by comparing the observed and predicted properties of molecules, such as chromatographic retention. Significant advancements have been made in predicting these values using ...
Identifying Organic Chemicals with Acetylcholinesterase Inhibition in Nationwide Estuarine Waters by Machine Learning-Assisted Mass Spectrometric Screening.
Environmental science & technology
Dec 4, 2024
Neurotoxicity is frequently observed in the global aquatic environment, threatening aquatic ecosystems and human health. However, a very limited proportion of neurotoxic effects (∼1%) has been explained by known chemicals of concern. Here, we integra...
LRMAHpan: a novel tool for multi-allelic HLA presentation prediction using Resnet-based and LSTM-based neural networks.
Frontiers in immunology
Nov 28, 2024
INTRODUCTION: The identification of peptides eluted from HLA complexes by mass spectrometry (MS) can provide critical data for deep learning models of antigen presentation prediction and promote neoantigen vaccine design. A major challenge remains in...
Promoting LC-QToF based non-targeted fingerprinting and biomarker selection with machine learning for the discrimination of black tea geographical origin.
Food chemistry
Nov 23, 2024
Traceability and mislabelling of black tea for their geographical origin is known as a major fraud concern of the sector. Discrimination among various geographical indications (GIs) can be challenging due to the complexity of chemical fingerprints in...
MetaPhenotype: A Transferable Meta-Learning Model for Single-Cell Mass Spectrometry-Based Cell Phenotype Prediction Using Limited Number of Cells.
Analytical chemistry
Nov 21, 2024
Single-cell mass spectrometry (SCMS) is an emerging tool for studying cell heterogeneity according to variation of molecular species in single cells. Although it has become increasingly common to employ machine learning models in SCMS data analysis, ...
Machine learning approach in canine mammary tumour classification using rapid evaporative ionization mass spectrometry.
Analytical and bioanalytical chemistry
Nov 19, 2024
Rapid evaporative ionization mass spectrometry (REIMS) coupled with a monopolar handpiece used for surgical resection and combined with chemometrics has been previously explored by our research group (Mangraviti et al. in Int J Mol Sci 23(18):10562, ...
An improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and a one-dimensional neural network combining ResNet and SENet.
The Analyst
Nov 18, 2024
Cancer is one of the most serious health problems worldwide. Because cancer has no specific symptoms in its early stages, it is often not diagnosed until it is in advanced stages, reducing the likelihood of successful treatment. Therefore, early diag...
Barley Grain Proteome Assessment Using Multi-Environment Trial Data and Machine Learning.
Journal of agricultural and food chemistry
Nov 13, 2024
Proteomics can be used to assess individual protein abundances, which could reflect genotypic and environmental effects and potentially predict grain/malt quality. In this study, 79 barley grain samples (genotype-location-year combinations) from Cali...
A multi-species benchmark for training and validating mass spectrometry proteomics machine learning models.
Scientific data
Nov 8, 2024
Training machine learning models for tasks such as de novo sequencing or spectral clustering requires large collections of confidently identified spectra. Here we describe a dataset of 2.8 million high-confidence peptide-spectrum matches derived from...
Autonomous mobile robots for exploratory synthetic chemistry.
Nature
Nov 6, 2024
Autonomous laboratories can accelerate discoveries in chemical synthesis, but this requires automated measurements coupled with reliable decision-making. Most autonomous laboratories involve bespoke automated equipment, and reaction outcomes are ofte...
Stay Ahead of Medical AI
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.
Subscribe NowPopular Topics
- Machine Learning 30978
- Neural Networks, Computer 29696
- Algorithms 26813
- Deep Learning 26324
- Artificial Intelligence 24267
- Robotics 13307
- Image Processing, Computer-Assisted 9512
- Retrospective Studies 9097
- Magnetic Resonance Imaging 6173
- Reproducibility of Results 5589
- Tomography, X-Ray Computed 4765
- Support Vector Machine 4678
- Computational Biology 4229
- Brain 4045
- Computer Simulation 3877
Recent Journals
- Scientific reports 5865
- Sensors (Basel, Switzerland) 4794
- PloS one 4011
- Neural networks : the official journal of the International Neural Network Society 2928
- Computational intelligence and neuroscience 1931
- Computers in biology and medicine 1839
- Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference 1686
- Studies in health technology and informatics 1278
- IEEE journal of biomedical and health informatics 1129
- Journal of chemical information and modeling 994
- Nature communications 938
- Computer methods and programs in biomedicine 883
- Bioinformatics (Oxford, England) 861
- Briefings in bioinformatics 850
- IEEE transactions on neural networks and learning systems 823