Resources: Difference between revisions
Jump to navigation
Jump to search
(asdf) |
(asdf) |
||
Line 1: | Line 1: | ||
A resource is the type of | A resource is the type of thing you are asking for (substance, catalog, gene, etc). Resources are written as plurals in the URL, indicating that the result is always a selection from among them. Each ZINC URL may specify only one resource. The URL syntax here covers both the web pages and the API. We currently support the following resources: | ||
{| class="wikitable" | {| class="wikitable" | ||
|- | |- | ||
! table name !! Description !! | ! table name !! Description !! Use this resource when the answer to your question is | ||
|- | |- | ||
| substances || | | substances || molecules || molecules. All of ZINC12 queries are subsumed in the substance resource. | ||
|- | |- | ||
| catalogs || | | catalogs || vendor and annotated catalogs || a particular vendor or annotated catalog contributing to ZINC. | ||
|- | |- | ||
| genes || | | genes || UniProt Gene Names || a gene, which groups targets from different species for the same gene. | ||
|- | |- | ||
| catalogitems || | | catalogitems || What they are called in the source catalog || about original catalog information | ||
|- | |- | ||
| protomers || | | protomers || 3D representations || various protonated and tautomerized forms of the molecule in 3D | ||
|- | |- | ||
| targets || | | targets || UniProt accession codes|| species-specific molecular targets | ||
|- | |- | ||
| activities || | | activities || Observed || about individual observations of biological activity of small molecules. | ||
|- | |- | ||
| purchasability || | | purchasability || Definition of supported purchasability levels || about what levels of purchasability are curated in ZINC. | ||
|- | |- | ||
| representatives || | | representatives || Cluster representatives || about chemical diversity of ligands for genes | ||
|- | |- | ||
| clusters || | | clusters || Clustered compounds by gene || about compounds for genes organized by chemotype. | ||
|- | |- | ||
| bioactivities || | | bioactivities || Definition of supported bioactivities || about what kinds of catalog-base | ||
|- | |- | ||
| majorclasses ||asdf asdf || asdfasfd sadf | | majorclasses ||asdf asdf || asdfasfd sadf |
Revision as of 00:16, 5 March 2015
A resource is the type of thing you are asking for (substance, catalog, gene, etc). Resources are written as plurals in the URL, indicating that the result is always a selection from among them. Each ZINC URL may specify only one resource. The URL syntax here covers both the web pages and the API. We currently support the following resources:
table name | Description | Use this resource when the answer to your question is |
---|---|---|
substances | molecules | molecules. All of ZINC12 queries are subsumed in the substance resource. |
catalogs | vendor and annotated catalogs | a particular vendor or annotated catalog contributing to ZINC. |
genes | UniProt Gene Names | a gene, which groups targets from different species for the same gene. |
catalogitems | What they are called in the source catalog | about original catalog information |
protomers | 3D representations | various protonated and tautomerized forms of the molecule in 3D |
targets | UniProt accession codes | species-specific molecular targets |
activities | Observed | about individual observations of biological activity of small molecules. |
purchasability | Definition of supported purchasability levels | about what levels of purchasability are curated in ZINC. |
representatives | Cluster representatives | about chemical diversity of ligands for genes |
clusters | Clustered compounds by gene | about compounds for genes organized by chemotype. |
bioactivities | Definition of supported bioactivities | about what kinds of catalog-base |
majorclasses | asdf asdf | asdfasfd sadf |
targetclasses | asdf asdf | asdfasfd sadf |
organisms | asdf asdf | asdfasfd sadf |
modeltypes | asdf asdf | asdfasfd sadf |
structures | asdf asdf | asdfasfd sadf |
traits | asdf asdf | asdfasfd sadf |
tools | asdf asdf | asdfasfd sadf |
ecfp4s | lala | fingerprints |
Historical note: In ZINC 12, the reference-table was always substances, and thus the result of any query was always a set of molecules. A few reports such as vendor and target listings were available via the webpages, but were not supported by the API. This is a substantial change that appeared first in ZINC 15.