ZINC15:Syntax

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Revision as of 21:04, 4 March 2015 by Frodo (talk | contribs) (asdf)
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The general form of a ZINC 15 api request is

http[s]://host/resource[.format[:columns][/variant][?page-view-controls | resource-constraints]

Where items in [ square brackets ] are optional.

  • host = zinc15.docking.org
  • resource is one of the 15 ZINC15:Resources
  • format is one of the 12 ZINC15:Formats. If omitted, a web page is requested.
  • columns is one or more of the ZINC15:Columns. Not all columns make sense in all resource contexts. Examples are provided. There are sensible defaults for each resource, so the column specification may be omitted.
  • variant is optionally one or more of the supported ZINC15:Variants.
  • page-view-controls is optionally one or more of those listed in the page-view-controls table, below.
  • ZINC15:Resource Constraints are optional, and may be qualified with ZINC15:Query operators

NP, Drug and BB

quality values Notes/Links
NP 0=unknown, 1=biogenic, 2=metabolite, 3=endogenous human metabolite lala
Drug 0=unknown, 1=annotated catalog, 2=bioactive, 4=bioactive in vitro < 1uM, 5=bioactive in cells <1uM, 6=in man, 8=world drug, 10=fda approved lala
BB f=not bb, t=bb asdf

examples

http://zincapi.ucsf.bkslab.org/v1/substances/txt:smiles,zinc_id,tanimoto_similarity/catalog.purchasable%20gt%209&ecfp4.data%20similarto%20CC(=O)Oc1ccccc1C(=O)O%20within%20.5?count=all