Resources: Difference between revisions

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| genes || UniProt Gene Names || a gene, which groups targets from different species for the same gene.
| genes || UniProt Gene Names || a gene, which groups targets from different species for the same gene.
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| catalogitems || What they are called in the source catalog || about original catalog information
| catitems || What they are called in the source catalog || about original catalog information
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| protomers || 3D representations || various protonated and tautomerized forms of the molecule in 3D
| protomers || 3D representations || various protonated and tautomerized forms of the molecule in 3D
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| activities || Observed  || about individual observations of biological activity of small molecules.
| activities || Observed  || about individual observations of biological activity of small molecules.
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| purchasability || Definition of supported purchasability levels || about what levels of purchasability are curated in ZINC.
| clusterreps || Cluster representatives || about chemical diversity of ligands for genes
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| representatives || Cluster representatives || about chemical diversity of ligands for genes
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| clusters || Clustered compounds by gene || about compounds for genes organized by chemotype.
| clusters || Clustered compounds by gene || about compounds for genes organized by chemotype.
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| bioactivities || Definition of supported bioactivities  || about what kinds of catalog-base
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| majorclasses ||asdf asdf || asdfasfd sadf
| majorclasses ||asdf asdf || asdfasfd sadf
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| targetclasses ||asdf asdf || asdfasfd sadf
| subclasses ||asdf asdf || asdfasfd sadf
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| organisms ||asdf asdf || asdfasfd sadf
| organisms ||asdf asdf || asdfasfd sadf
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| modeltypes ||asdf asdf || asdfasfd sadf
| tools ||asdf asdf || Reserved for future use
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| structures ||asdf asdf || asdfasfd sadf
| ecfp4s  || lala || fingerprints
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| traits ||asdf asdf || asdfasfd sadf
| predictions || SEA predictions || sea
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| tools ||asdf asdf || asdfasfd sadf
| atccodes || atc codes || atccodes
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| ecfp4s  || lala || fingerprints
| generelations || gene_relations || gene_relations
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| observations || obs || obs
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|}



Revision as of 19:59, 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 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.
catitems 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.
clusterreps Cluster representatives about chemical diversity of ligands for genes
clusters Clustered compounds by gene about compounds for genes organized by chemotype.
majorclasses asdf asdf asdfasfd sadf
subclasses asdf asdf asdfasfd sadf
organisms asdf asdf asdfasfd sadf
tools asdf asdf Reserved for future use
ecfp4s lala fingerprints
predictions SEA predictions sea
atccodes atc codes atccodes
generelations gene_relations gene_relations
observations obs 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.