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...

Full description

Bibliographic Details
Main Authors: Michael G. Leeming, Andrew P. Isaac, Luke Zappia, Richard A.J. O’Hair, William A. Donald, Bernard J. Pope
Format: Article
Language:English
Published: Elsevier 2020-07-01
Series:SoftwareX
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711019303796