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• Automating purchasability
  It seems you're out of the loop. Have you heard of the new purchasability report? http://zinc15.docking.org/substances/shopping-list/ ...orphine = zinc.substances.get('ZINC3812983', fields=('zinc_id', 'smiles', 'purchasability', 'vendor_catalogs', 'protomers', 'ecfp4_fp.as_bits'))
  2 KB (346 words) - 20:51, 2 May 2024

Page text matches

• General zinc15 curation
  update purchasability (belongs on curator page) ...purchasability(sub_id) where sub_id in (select sub_id from substance where purchasability is null limit 10000);
  236 bytes (31 words) - 17:32, 17 August 2017
• Substance properties
  == Purchasability == substance_best_purchasability -- Highest purchasability level for sub_id
  2 KB (290 words) - 20:54, 3 September 2015
• Downloading purchasing information
  A full list of vendors at each purchasability level is here to get the short_name and the numeric purchasability level used in the
  2 KB (297 words) - 17:20, 19 December 2017
• ZINC15 cron jobs
  == Purchasability == We update null purchasability at 9 am each morning.
  2 KB (301 words) - 00:28, 2 October 2015
• Automating purchasability
  It seems you're out of the loop. Have you heard of the new purchasability report? http://zinc15.docking.org/substances/shopping-list/ ...orphine = zinc.substances.get('ZINC3812983', fields=('zinc_id', 'smiles', 'purchasability', 'vendor_catalogs', 'protomers', 'ecfp4_fp.as_bits'))
  2 KB (346 words) - 20:51, 2 May 2024
• Building blocks
  http://zinc15.docking.org/substances/subsets/bb.smi?purchasability=for-sale&count=1000 http://zinc15.docking.org/substances/subsets/bb.smi?purchasability=in-stock&count=1000
  2 KB (368 words) - 19:45, 11 June 2015
• Jji-ts-2d-loading
  * 6. update drug, np, purchasability for toload, inzinc, depleted based on catalog membership
  502 bytes (59 words) - 18:06, 3 December 2015
• ZINC:Command language
  catalog.purchasability={not-for-sale, in-stock, on-demand, boutique, agent, collabocules> filter.purchasability=X where X= in-stock, on-demand, purchasable, not-for-sale, all, ...
  3 KB (433 words) - 21:34, 28 December 2018
• ZINC15:examples
  ...assword xtal -O - "http://zinc15.docking.org/substances.txt:smiles,zinc_id,purchasability? purchasability:gt=10&mwt:le=350&mwt:gt=50&logp:le=3.5&structure.num_rotatable_bonds:le=7&s
  686 bytes (97 words) - 17:34, 17 August 2017
• ZINC15:examples:screening
  1a. Specify purchasability level (top left) 1a. Specify purchasability level (top left) pH range, Chemical filters and Charge, if desired (top).
  2 KB (411 words) - 22:00, 16 October 2015
• Continuous curation
  == basic warehousing (recalculate purchasability, reactivity class) ==
  3 KB (406 words) - 17:23, 15 November 2016
• ZINC12:Release notes
  * purchasability reports We have loaded ChEMBL data into ZINC. Combined with the purchasability information, this makes it easy to shop for compounds. Use the Search->by T
  2 KB (375 words) - 23:15, 4 January 2019
• Tranche Browser
  == Purchasability == ...pounds that are at a particular level, toggle into "Exclusive" mode in the purchasability popup.
  6 KB (1,016 words) - 00:23, 2 October 2015
• ZINC15:Getting started
  ...ubstance subsets. (the URL now ends with /substances/subsets). There are purchasability subsets, bioactive and drug subsets, biogenic subsets, reactivity and other * Purchasability selector: In Stock, Agent, On Demand, Boutique, Annotated. Default On Dema
  5 KB (842 words) - 03:49, 2 October 2015
• LoadingZINC15
  * 5. update purchasability ~/bin/updatepurchasability.csh <short_name>
  980 bytes (154 words) - 17:01, 22 June 2015
• Tool-selector
  ...for this target, affinity for next best target (which can be higher), and purchasability (50=premier vendor, 40=in stock vendor, 30 = agent (e.g. emolecules), 20 = Here is how to refresh the purchasability of the observations
  3 KB (461 words) - 19:46, 3 November 2016
• Psql idioms
  == update purchasability by catalog = begin; update substance as s set purchasability = substance_best_purchasability(s.sub_id) from catalog_item as ci join cata
  4 KB (580 words) - 18:00, 24 August 2017
• Subset download
  1. How long are you willing to wait (use the purchasability selector, default is "on demand", thus wait up to 10 weeks)
  2 KB (259 words) - 20:04, 11 June 2015
• Google sheets hit picking
  ....csv?zinc_id-in=", JOIN("+", B2:B100),"&output_fields=predicted_gene_names purchasability supplier_codes"))
  2 KB (424 words) - 17:06, 5 October 2020
• ZINC15:examples:public
  http://zinc15.docking.org/genes/having/no-activities/subsets/1uM/?related.purchasability=for-sale&num_substances-ge=1 ...ubstances.txt?substance.structure:contains=[ND1]&catalog.bb=True&substance.purchasability:gt=9&count=all"
  18 KB (2,725 words) - 21:41, 29 October 2019