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An integrated dataset for in silico drug discovery

Cockell, Simon J. ; Weile, Jochen ; Lord, Phillip ; Wipat, Claire ; Andriychenko, Dmytro ; Pocock, Matthew ; Wilkinson, Darren ; Young, Malcolm ; Wipat, Anil

Journal of Integrative Bioinformatics - JIB (ISSN 1613-4516)


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Abstract:
Drug development is expensive and prone to failure. It is potentially much less risky and expensive to reuse a drug developed for one condition for treating a second disease, than it is to develop an entirely new compound. Systematic approaches to drug repositioning are needed to increase throughput and find candidates more reliably. Here we address this need with an integrated systems biology dataset, developed using the Ondex data integration platform, for the in silico discovery of new drug repositioning candidates. We demonstrate that the information in this dataset allows known repositioning examples to be discovered. We also propose a means of automating the search for new treatment indications of existing compounds.


Institution: Faculty of Technology, Research Groups in Informatics
DDC classification: Data processing, computer science, computer systems

Suggested Citation:
Cockell, Simon J. ; Weile, Jochen ; Lord, Phillip ; Wipat, Claire ; Andriychenko, Dmytro ; Pocock, Matthew ; Wilkinson, Darren ; Young, Malcolm ; Wipat, Anil  (2010)  An integrated dataset for in silico drug discovery. Journal of Integrative Bioinformatics - JIB (ISSN 1613-4516), 7(3), 2010

Online-Journal: http://journal.imbio.de/article.php?aid=116
URL: http://biecoll.ub.uni-bielefeld.de/volltexte/2010/5015



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