Miao Yu
@yu_free
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#metabolomics #exposomics #dataanalysis #jax
Farmington, CT
Joined April 2010
Single File Injections (SFI) Enable Thousand-Sample-per-Day Analysis by Liquid Chromatography-Mass Spectrometry | ChemRxiv -
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Paper of mzrtsim package is published for the simulation of MS1 mzML files with ground truth. I hope this tool will help researchers to find/compare the right #opensource peak picking tools. @jacksonlab #metabolomics
pubs.acs.org
Reproducibility of data analysis is pivotal in the context of nontargeted metabolomics based on mass spectrometry coupled with chromatography. While various algorithms have been proposed for feature...
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Open Source Spatial Reactomics (OSSpRe) Workflow for Trapped Ion Mobility Spectrometry (TIMS) Coupled with High Resolution Mass Spectrometry Imaging | ChemRxiv -
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#ASMS2025 this year I will show an idea to analysis 1000 untargeted #metabolomics samples per day with 10 minutes chromatography separation. If you are tired of batch effects, check MP 470 on Monday.
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Build with #AI in 2 hours and GitHub repo is here:
github.com
A docker image to convert Thermo raw data into open-source format files by flask - yufree/thermoflask
🚀 Introducing ThermoFlask: A simple, web-based tool for processing Thermo .raw files! ✅ Batch processing ✅ Multiple output formats (mzML, MGF, Parquet, etc.) ✅ Easy-to-use web interface Get started now: https://t.co/pF9PJFiTyR
#MassSpectrometry #OpenSource #flask
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🚀 Introducing ThermoFlask: A simple, web-based tool for processing Thermo .raw files! ✅ Batch processing ✅ Multiple output formats (mzML, MGF, Parquet, etc.) ✅ Easy-to-use web interface Get started now: https://t.co/pF9PJFiTyR
#MassSpectrometry #OpenSource #flask
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NotebookLM's AI podcast for my #reactomics paper is really impressive!
notebooklm.google.com
Use the power of AI for quick summarization and note taking, NotebookLM is your powerful virtual research assistant rooted in information you can trust.
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Why I’ve removed journal titles from the papers on my CV
nature.com
Nature - Changing how published papers are displayed could shift the focus from simple metrics to research quality.
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in-source fragmentation dominated MS2 spectra for #metabolomics
nature.com
Nature Metabolism - The hidden impact of in-source fragmentation in metabolic and chemical mass spectrometry data interpretation
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With multiple emails requests about #reactomics analysis without retention time such as FT-ICR MS data, l wrote this post with code as a demo
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#ASMS2024 Next Tuesday, I will show a proof of concept poster (TP233) for spatial #reactomics by MS imaging, and related software updates will be released for pmd package.
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Predicting the Predicted: A Comparison of Machine Learning-Based Collision Cross-Section Prediction Models for Small Molecules | Analytical Chemistry
pubs.acs.org
The application of machine learning (ML) to -omics research is growing at an exponential rate owing to the increasing availability of large amounts of data for model training. Specifically, in...
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Active Molecular Network Discovery Links Lifestyle Variables to Breast Cancer in the Long Island Breast Cancer Study Project | Environment & Health
pubs.acs.org
A healthy lifestyle has been associated with decreased risk of developing breast cancer. Using untargeted metabolomics profiling, which provides unbiased information regarding lifestyle choices such...
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Tandem mass spectrum prediction for small molecules using graph transformers. https://t.co/qq0JaOYIcQ
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Tandem Mass Spectrometry across Platforms | Analytical Chemistry
pubs.acs.org
PubChem serves as a comprehensive repository, housing over 100 million unique chemical structures representing the breadth of our chemical knowledge across numerous fields including metabolism,...
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Annual updates of online #metabolomics research notes with 42 new literatures.
bookdown.org
This is a workflow for metabolomics studies.
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Technical Note: mzML and imzML Libraries for Processing Mass Spectrometry Data with the High-Performance Programming Language #Julia | Analytical Chemistry
pubs.acs.org
Julia combines the virtues of high-level and low-level programming languages: The code is human-readable, and the performance of the created binaries competes with machine-orientated compilers. Thus,...
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Experimental evidence on the incorrectness of virtual fragment ion annotations in major in silico MS2libraries, reported by @HFML_FELIX
@WishartLab
https://t.co/73NLauapDa
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RARE opportunity to hire a #R and #reproducible research guru who creates the #knitr and downverse open-source community.
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