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Title: The use of kernel-based machine learning algorithms in virtual screening
Author: Wood, David
ISNI:       0000 0001 2447 6589
Awarding Body: University of Sheffield
Current Institution: University of Sheffield
Date of Award: 2008
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The high-throughput technologies of combinatorial chemistry and high-throughput screening have caused an explosion in the amount of data that pharmaceutical companies have available to them in the early stages of drug discovery. These large datasets are frequently analysed with machine learning tools and techniques. In this work, kernel-based machine learning algorithms are assessed and developed for virtual screening purposes using a wide range of molecular representations, and recommendations for improving the accuracy or the activity models are made.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available