Difference between revisions of "Chemical Diversity"

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[[Category:Chemical informatics]]

Latest revision as of 05:02, 14 February 2014

Chemical Diversity, or, within the field, often just 'diversity', refers to the idea that:

  • chemical space is unfathomably large
  • libraries that sample more of chemical space are more likely to find hits
  • diversity is the idea of quantifying this notion of 'coverage of chemical space'

This problem has been attacked from many angles. Among the most successful are the fragment-based approach and the notion of lead-likeness.

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