ZINC15:Backlog: Difference between revisions
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ZINC catalog processing pipeline | ZINC catalog processing pipeline | ||
* '''Jan 20 - new loading''' | |||
== processed on zinc12, to load on zinc15 when pipeline gets back on line == | == processed on zinc12, to load on zinc15 when pipeline gets back on line == | ||
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* pattern curation | * pattern curation | ||
* ambinter | * ambinter | ||
== contact == | == contact == | ||
Revision as of 00:20, 21 January 2016
ZINC catalog processing pipeline
- Jan 20 - new loading
processed on zinc12, to load on zinc15 when pipeline gets back on line
- chbrbb, chbr, molport. molportbb, molport-v (new), specs, specsbb, specsnp
to do list
- pubchem upload
- ring curation
- pattern curation
- ambinter
contact
- http://advamacs.com/
- http://pkuxxj.pku.edu.cn/CVDHD/download.php - cardiovascular disease herbal database
- http://www.adooq.com/
- www.MedChemExpress.com
expecting
- queena (Oct 15)
received 2015-10 but not done
- medchemexpress.com.
received 2015-09 but not done
- EDASA
- Aobious
- 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