Mechanistic Understanding of the Discrepancies between Common Peak Picking Algorithms in Liquid Chromatography-Mass Spectrometry-Based Metabolomics.
Sign Up to like & getrecommendations! Published in 2023 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c04887
Abstract: Inconsistent peak picking outcomes are a critical concern in processing liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics data. This work systematically studied the mechanisms behind the discrepancies among five commonly used peak picking algorithms, including CentWave… read more here.
Keywords: picking algorithms; metabolic features; liquid chromatography; peak picking ... See more keywords
NMRNet: a deep learning approach to automated peak picking of protein NMR spectra
Sign Up to like & getrecommendations! Published in 2018 at "Bioinformatics"
DOI: 10.1093/bioinformatics/bty134
Abstract: Motivation: Automated selection of signals in protein NMR spectra, known as peak picking, has been studied for over 20 years, nevertheless existing peak picking methods are still largely deficient. Accurate and precise automated peak picking… read more here.
Keywords: peak picking; protein nmr; deep learning; nmr spectra ... See more keywords