ZINC15:Syntax: Difference between revisions

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* format is one of the 12 [[ZINC15:Formats]].  If omitted, a web page is requested.
* 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.
* 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 variants in the variants table below
* 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.
* page-view-controls is optionally one or more of those listed in the page-view-controls table, below.
* resource constraints is optionally one or more of those in the resource-constraints table, below.
* resource constraints is optionally one or more of those in the resource-constraints table, below.


= Variants =
We support the following variants
{| class="wikitable"
|-
! format !! Description !! options/links
|-
|  page=x || substance table || notes about substance table
|-
| perpage=y  || lala || lala
|-
| count=all || lala || asdf
|-
| distinct || asdfasdf || sdfsdfdaf
|-
| sort-by || qwer34 || seradsf
|-
| xml || sdfasfd || sadfasdf
|}


= Format =
= Format =

Revision as of 21:01, 4 March 2015

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.
  • resource constraints is optionally one or more of those in the resource-constraints table, below.


Format

We support the following resource constraints

format Description options/links
resource.attribute:operator substance table notes about substance table
blah lala lala
blah lala asdf
xls asdfasdf sdfsdfdaf
tsv qwer34 seradsf
xml sdfasfd sadfasdf


Query operators

operator Description synonyms
@> lala contains
<@ lala contained in
= equals eq
< less than lt
> greater than gt
<= less than or equal le
>= greater than or equal ge
between sadfasfsd asdfasfd
like, is, not , startswith, endswith, similar to asdf asdf asdfasfd sadf

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