HiTIME: An efficient model-selection approach for the detection of unknown drug metabolites in LC-MS data
The identification of metabolites plays an important role in understanding drug efficacy and safety however these compounds are often difficult to identify in complex mixtures. One approach to identify drug metabolites involves utilising differentially isotopically labelled drug compounds to create...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2020-07-01
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Series: | SoftwareX |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711019303796 |