VOCCluster: Untargeted Metabolomics Feature Clustering Approach for Clinical Breath Gas Chromatography - Mass Spectrometry Data
Keyword(s):
<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>
2019 ◽
2019 ◽
Vol 92
(4)
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pp. 2937-2945
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2016 ◽
2017 ◽
Vol 31
(7)
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pp. 613-622
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2008 ◽
Vol 1186
(1-2)
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pp. 348-357
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