User: Paul Dobson

Name: Paul Dobson

Joined: Friday 27 July 2007 15:10:03 (UTC)

Last seen: Thursday 02 September 2010 23:39:29 (UTC)

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Website: http://dobsonlab.blogspot.com/

Location: Manchester, United Kingdom

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Field/Industry: Cheminformatics

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The University of Manchester

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Paul Dobson

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Mapping Metabolites for Metabolic Network Reconstruc...

Created: 2010-06-03 11:43:43 | Last updated: 2010-06-03 11:47:16

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. These problems include finding identical structures across sources, which is trivial, but also structures that differ due to idiosyncrasies of the sources or annotators. This includes charge differences, varying stereochemistry, tautomers, and so forth. Workflows in this pack allow sets of ...

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