ZINC15:Backlog: Difference between revisions

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ZINC catalog processing pipeline
ZINC catalog processing pipeline


= received 2015-09 but not done =  
== expecting ==
* queena (Oct 15)
 
== received 2015-10 but not done ==
 
 
== received 2015-09 but not done ==  
* EDASA  
* EDASA  
* others in in box.  
* others in in box.  
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* create subsets of targets
* create subsets of targets
* lead-like, frag-like, drug-like subsets
* lead-like, frag-like, drug-like subsets






[[Category:Curator]]
[[Category:Curator]]

Revision as of 16:36, 15 October 2015

ZINC catalog processing pipeline

expecting

  • queena (Oct 15)

received 2015-10 but not done

received 2015-09 but not done

  • EDASA
  • others in in box.
  • hmdbendo still contains aspirin. somehow. must remove.
  • remove smpdb from metabolites (and update values)
  • remove fingerprints of benched
  • maybe move retired from zinc12 to zinc15
  • change purchasable to for-sale in subsets
  • descriptions, counts in subsets
  • create subsets of targets
  • lead-like, frag-like, drug-like subsets