ZINC15:Backlog: Difference between revisions
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ZINC catalog processing pipeline | ZINC catalog processing pipeline | ||
== 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 | * pubchem upload | ||
* ring curation | * ring curation | ||
* pattern curation | * pattern curation | ||
* ambinter | * ambinter | ||
* DUDE Mason | * DUDE Mason | ||
Revision as of 16:02, 23 November 2015
ZINC catalog processing pipeline
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
- DUDE Mason
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