Use this URL to cite or link to this record in EThOS:
Title: Computational tools for the processing and analysis of time-course metabolomic data
Author: Rusilowicz, Martin James
ISNI:       0000 0004 6424 8021
Awarding Body: University of York
Current Institution: University of York
Date of Award: 2016
Availability of Full Text:
Access from EThOS:
Access from Institution:
Modern, high-throughput techniques for the acquisition of metabolomic data, combined with an increase in computational power, have provided not only the need for, but also the means to develop and use, methods for the interpretation of large and complex datasets. This thesis investigates the methods by which pertinent information can be extracted from nontargeted metabolomic data and reviews the current state of chemometric methods. The analysis of real-world data and research questions relevant to the agri-food industry reveals several problems for which novel solutions are proposed. Three LC-MS datasets are studied: Medicago, Alopecurus and aged Beef, covering stress resistance, herbicide resistance and product misbranding. The new methods include preprocessing (batch correction, data-filtering), processing (clustering, classification) and visualisation and their use facilitated within a flexible data-to-results pipeline. The resulting software suite with a user-friendly graphical interface is presented, providing a pragmatic realisation of these methods in an easy to access workflow.
Supervisor: Wilson, Julie ; O'Keefe, Simon Sponsor: Not available
Qualification Name: Thesis (Eng.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available