Resources: Difference between revisions
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{| class="wikitable" | {| class="wikitable" | ||
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! table name !! Description !! Use this resource when the answer to your question is | ! table name !! Description !! Approximate Number !! Use this resource when the answer to your question is | ||
|- | |- | ||
| substances || molecules || molecules. All of ZINC12 queries are subsumed in the substance resource. | | substances || molecules || 200,000,000 || 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. | | catalogs || vendor and annotated catalogs || 400 || a particular vendor or annotated catalog contributing to ZINC. | ||
|- | |- | ||
| genes || UniProt Gene | | genes || UniProt Gene Symbols || 2800 || a gene, which groups targets from different species for the same gene. | ||
|- | |- | ||
| catitems || What they are called in the source catalog || about original catalog information | | catitems || What they are called in the source catalog || 1 billion || about original catalog information | ||
|- | |- | ||
| protomers || 3D representations || various protonated and tautomerized forms of the molecule in 3D | | protomers || 3D representations || 6 million and growing || various protonated and tautomerized forms of the molecule in 3D | ||
|- | |- | ||
| targets || UniProt accession codes|| species-specific molecular targets | | targets || UniProt accession codes|| 3800 || species-specific molecular targets | ||
|- | |- | ||
| activities || Observed || about individual observations of biological activity of small molecules. | | activities || Observed || 220,000 || about individual observations of biological activity of small molecules. | ||
|- | |- | ||
| clusterreps || Cluster representatives || about chemical diversity of ligands for genes | | clusterreps || Cluster representatives || 3900 || about chemical diversity of ligands for genes | ||
|- | |- | ||
| clusters || Clustered compounds by gene || about compounds for genes organized by chemotype. | | clusters || Clustered compounds by gene || 220,000 || about compounds for genes organized by chemotype. | ||
|- | |- | ||
| majorclasses ||asdf asdf || asdfasfd sadf | | majorclasses ||asdf asdf || 15 || asdfasfd sadf | ||
|- | |- | ||
| subclasses ||asdf asdf || asdfasfd sadf | | subclasses ||asdf asdf || 44 || asdfasfd sadf | ||
|- | |- | ||
| organisms ||asdf asdf || asdfasfd sadf | | organisms ||asdf asdf || 5 || asdfasfd sadf | ||
|- | |- | ||
| tools ||asdf asdf || Reserved for future use | | tools ||asdf asdf || 10,000 || Reserved for future use | ||
|- | |- | ||
| ecfp4s || lala || fingerprints | | ecfp4s || lala || 100,000,000 || fingerprints | ||
|- | |- | ||
| predictions || SEA predictions || sea | | predictions || SEA predictions || 1 billion || sea | ||
|- | |- | ||
| atccodes || atc codes || atccodes | | atccodes || atc codes || 1500 || atccodes | ||
|- | |- | ||
| generelations || gene_relations || gene_relations | | generelations || gene_relations || 250,000 || gene_relations | ||
|- | |- | ||
| observations || obs || obs | | observations || obs || 280,000 || obs | ||
|} | |} | ||
Revision as of 20:03, 6 July 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 | Approximate Number | Use this resource when the answer to your question is |
---|---|---|---|
substances | molecules | 200,000,000 | molecules. All of ZINC12 queries are subsumed in the substance resource. |
catalogs | vendor and annotated catalogs | 400 | a particular vendor or annotated catalog contributing to ZINC. |
genes | UniProt Gene Symbols | 2800 | a gene, which groups targets from different species for the same gene. |
catitems | What they are called in the source catalog | 1 billion | about original catalog information |
protomers | 3D representations | 6 million and growing | various protonated and tautomerized forms of the molecule in 3D |
targets | UniProt accession codes | 3800 | species-specific molecular targets |
activities | Observed | 220,000 | about individual observations of biological activity of small molecules. |
clusterreps | Cluster representatives | 3900 | about chemical diversity of ligands for genes |
clusters | Clustered compounds by gene | 220,000 | about compounds for genes organized by chemotype. |
majorclasses | asdf asdf | 15 | asdfasfd sadf |
subclasses | asdf asdf | 44 | asdfasfd sadf |
organisms | asdf asdf | 5 | asdfasfd sadf |
tools | asdf asdf | 10,000 | Reserved for future use |
ecfp4s | lala | 100,000,000 | fingerprints |
predictions | SEA predictions | 1 billion | sea |
atccodes | atc codes | 1500 | atccodes |
generelations | gene_relations | 250,000 | gene_relations |
observations | obs | 280,000 | obs |
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.