ZINC15:Backlog: Difference between revisions
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ZINC catalog processing pipeline | ZINC catalog processing pipeline | ||
== | |||
* ready to | = ZINC15 = | ||
== in email, need to be downloaded == | |||
* http://www.a2zsynthesis.com/download | |||
== regular, need updating == | |||
== on disk, ready to load == | |||
ambint enamine-v iflabbb mce nutrichem otavabb-v specsbb towrapup vitasmbb | |||
biosynth enaminebb infarmatik molport otava quartzy specsnp unpd | biosynth enaminebb infarmatik molport otava quartzy specsnp unpd | ||
akos broken emol iflab molport-v otava-v syntharise | akos broken emol iflab molport-v otava-v syntharise | ||
akos-v chbr enamine iflab-v iuphar molportbb otavabb synthonixbb vitasm | akos-v chbr enamine iflab-v iuphar molportbb otavabb synthonixbb vitasm | ||
= to write to, to add = | == to write to, to add, once zinc15 updated == | ||
Accela ChemBio Inc. | Accela ChemBio Inc. | ||
Chem-Impex International Inc | Chem-Impex International Inc | ||
| Line 15: | Line 24: | ||
Reddy Chemtech Inc. | Reddy Chemtech Inc. | ||
Advanced ChemBlocks Inc, | Advanced ChemBlocks Inc, | ||
== watch for update, expected soon == | |||
== ongoing curation == | == ongoing curation == | ||
Revision as of 17:25, 2 February 2016
ZINC catalog processing pipeline
ZINC15
in email, need to be downloaded
regular, need updating
on disk, ready to load
ambint enamine-v iflabbb mce nutrichem otavabb-v specsbb towrapup vitasmbb biosynth enaminebb infarmatik molport otava quartzy specsnp unpd akos broken emol iflab molport-v otava-v syntharise akos-v chbr enamine iflab-v iuphar molportbb otavabb synthonixbb vitasm
to write to, to add, once zinc15 updated
Accela ChemBio Inc. Chem-Impex International Inc Chemodex Ltd. Curpys Chemicals Ltd Heteroz, LLC Reddy Chemtech Inc. Advanced ChemBlocks Inc,
watch for update, expected soon
ongoing curation
- pubchem upload monthly
- ring curation - remove dups and brokens
- pattern curation - more specialization. fix incorrect pains
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