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    <name><![CDATA[Jean-claude]]></name>
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  <title>Representation of Molecules and Molecular Systems in Data Analysis and Modeling</title>
  <average_rating></average_rating>
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  <name>Egon Willighagen</name>
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    <rating>5</rating>
  <votes>0</votes>
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  <read_at>Mon Oct 26 00:00:00 -0700 2009</read_at>
  <date_added>Mon Oct 26 01:57:10 -0700 2009</date_added>
  <date_updated>Mon Oct 26 02:14:46 -0700 2009</date_updated>
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    <body><![CDATA[Egon Willighagen's thesis is a must-read for chemists who seek to understand the emerging role of cheminformatics.  The topics covered include molecular chemometrics, molecular descriptors - with an emphasis on those derived from NMR spectra, and crystal packing modeling.<br/><br/>There is a strong emphasis on the sharing of Open Data and Open Standards, detailed in the description of the Blue Obelisk Repository.  Novel methods of disseminating chemical metadata - such as CMLRSS - are highlighted.<br/><br/>Most of the chapters have been published as separate articles and are available from links provided on the <a rel="nofollow" target="_blank" href="http://chem-bla-ics.blogspot.com/2008/03/todo-april-2nd-defend-my-phd-work.html">chem-bla-ics blog</a>.]]></body>
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