A two-phase clustering approach for peak alignment in mining mass spectrometry data

2009 ◽  
Author(s):  
Lien-Chin Chen ◽  
Yu-Cheng Liu ◽  
Chi-Wei Liu ◽  
Vincent S. Tseng
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectrometry Data ◽  
Two Phase ◽  
Peak Alignment ◽  
Clustering Approach

XCMS:  Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

2006 ◽  
Vol 78 (3) ◽  
pp. 779-787 ◽  
Author(s):  
Colin A. Smith ◽  
Elizabeth J. Want ◽  
Grace O'Maille ◽  
Ruben Abagyan ◽  
Gary Siuzdak
Keyword(s):  
Mass Spectrometry ◽  
Metabolite Profiling ◽  
Mass Spectrometry Data ◽  
Peak Alignment

scholarly journals VOCCluster: Untargeted Metabolomics Feature Clustering Approach for Clinical Breath Gas Chromatography - Mass Spectrometry Data

2019 ◽  
Author(s):  
Yaser Alkhalifah ◽  
Iain Phillips ◽  
Andrea Soltoggio ◽  
Kareen Darnley ◽  
William H. Nailon ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Organic Compounds ◽  
Mass Spectra ◽  
Mass Spectrometry Data ◽  
Gas Chromatography Mass Spectrometry ◽  
Feature Clustering ◽  
Software Packages ◽  
Volatile Organic ◽  
Clustering Approach

<div>Our unsupervised clustering technique, VOCCluster, prototyped in Python, handles features of deconvolved GC-MS breath data. VOCCluster was created from a heuristic ontology based on the observation of experts undertaking data processing with a suite of software packages. VOCCluster identifies and clusters groups of volatile organic compounds (VOCs) from deconvolved GC-MS breath with similar mass spectra and retention index profiles.</div>

scholarly journals VOCCluster: Untargeted Metabolomics Feature Clustering Approach for Clinical Breath Gas Chromatography - Mass Spectrometry Data

2019 ◽  
Author(s):  
Yaser Alkhalifah ◽  
Iain Phillips ◽  
Andrea Soltoggio ◽  
Kareen Darnley ◽  
William H. Nailon ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Organic Compounds ◽  
Mass Spectra ◽  
Mass Spectrometry Data ◽  
Gas Chromatography Mass Spectrometry ◽  
Feature Clustering ◽  
Software Packages ◽  
Volatile Organic ◽  
Clustering Approach

<div>Our unsupervised clustering technique, VOCCluster, prototyped in Python, handles features of deconvolved GC-MS breath data. VOCCluster was created from a heuristic ontology based on the observation of experts undertaking data processing with a suite of software packages. VOCCluster identifies and clusters groups of volatile organic compounds (VOCs) from deconvolved GC-MS breath with similar mass spectra and retention index profiles.</div>

154: Integration of TPSA and High-Throughput Mass Spectrometry Data Improves Prostate Cancer Prediction

2007 ◽  
Vol 177 (4S) ◽  
pp. 52-53
Author(s):  
Stefano Ongarello ◽  
Eberhard Steiner ◽  
Regina Achleitner ◽  
Isabel Feuerstein ◽  
Birgit Stenzel ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Mass Spectrometry ◽  
High Throughput ◽  
Mass Spectrometry Data ◽  
Cancer Prediction

Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data.

2007 ◽  
Vol 3 (2) ◽  
pp. 127-147 ◽  
Author(s):  
Anestis Antoniadis ◽  
Jeremie Bigot ◽  
Sophie Lambert-Lacroix ◽  
Frederique Letue
Keyword(s):  
Mass Spectrometry ◽  
Time Of Flight ◽  
Mass Spectrometry Data ◽  
Processing Methods ◽  
Flight Mass Spectrometry
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