ZINC15:Syntax
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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 variants in the variants 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.
Variants
We support the following variants
| 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
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