ZINC15:examples: Difference between revisions
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Revision as of 20:35, 25 March 2015
Examples from the paper
From the abstract
From the introduction
From the Results
ZINC15:examples:results-tables
ZINC15:examples:results-figures
Actions
Translate
zinc15.docking.org/actions/translate
Nearest Metabolite
zinc15.docking.org/actions/translate
Build dockable library
zinc15.docking.org/actions/build-library
One-step reactions
zinc15.docking.org/actions/reaction
orphan
zinc15.docking.org/substances.txt:smiles,zinc_id,tanimoto_similarity? catalog.purchasable%20gt%209&ecfp4.data%20similarto%20CC(=O)Oc1ccccc1C(=O)O%20within%20.5?count=all
Website Main entry points
Browse all compounds in ZINC
http://zinc15.docking.org/substances
Variant 1: all in-stock compounds, as SMILES
http://zinc15.docking.org/substances.smi/in-stock
Variant 2: all biogenic building blocks sold by Sigma Aldrich, as an Excel spreadsheet
http://zinc15.docking.org/substances.xlsx?catalog.name=sialbb&catalog.np=1
Browse all vendors in ZINC
http://zinc15.docking.org/catalogs
Variant 1:
http://zinc15.docking.org/catalogs
Variant 2:
http://zinc15.docking.org/catalogs
Browse all genes in ZINC
http://zinc15.docking.org/catalogs
Variant 1: eukaryotic genes
http://zinc15.docking.org/catalogs?organism.name=Eukaryotic
Variant 2: genes for eukaryotic transporters
http://zinc15.docking.org/catalogs?major_class.name='transporter'&organism.type=E
Browse all target classes in ZINC
http://zinc15.docking.org/target_classes
Variant 1: eukaryotic genes
http://zinc15.docking.org/catalogs?organism.name=Eukaryotic
Variant 2: genes for eukaryotic transporters
http://zinc15.docking.org/catalogs?major_class.name='transporter'&organism.type=E
List options
Wait, what are the available major classes?
http://zinc15.docking.org/majorclasses
And the available organism types?
http://zinc15.docking.org/organisms
Back to Webapi