The use of kernel-based machine learning algorithms in virtual screening

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 tool...

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Bibliographic Details
Main Author:	Wood, David
Published:	University of Sheffield 2008
Subjects:	615.1900724
Online Access:	http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.489104

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spelling	ndltd-bl.uk-oai-ethos.bl.uk-4891042015-03-20T05:10:44ZThe use of kernel-based machine learning algorithms in virtual screeningWood, David2008The 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.615.1900724University of Sheffieldhttp://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.489104Electronic Thesis or Dissertation
collection	NDLTD
sources	NDLTD
topic	615.1900724
spellingShingle	615.1900724 Wood, David The use of kernel-based machine learning algorithms in virtual screening
description	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.
author	Wood, David
author_facet	Wood, David
author_sort	Wood, David
title	The use of kernel-based machine learning algorithms in virtual screening
title_short	The use of kernel-based machine learning algorithms in virtual screening
title_full	The use of kernel-based machine learning algorithms in virtual screening
title_fullStr	The use of kernel-based machine learning algorithms in virtual screening
title_full_unstemmed	The use of kernel-based machine learning algorithms in virtual screening
title_sort	use of kernel-based machine learning algorithms in virtual screening
publisher	University of Sheffield
publishDate	2008
url	http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.489104
work_keys_str_mv	AT wooddavid theuseofkernelbasedmachinelearningalgorithmsinvirtualscreening AT wooddavid useofkernelbasedmachinelearningalgorithmsinvirtualscreening
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The use of kernel-based machine learning algorithms in virtual screening

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