ZINC15:examples: Difference between revisions
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* [[ZINC15:videos]] | * [[ZINC15:videos]] | ||
* [[ZINC15:examples:screening]] | * [[ZINC15:examples:screening]] | ||
query ZINC using api | |||
time wget --user gpcr --password xtal -O - "http://zinc15.docking.org/substances.txt:smiles,zinc_id,purchasability? | |||
purchasability:gt=10&mwt:le=350&mwt:gt=50&logp:le=3.5&structure.num_rotatable_bonds:le=7&structure:contains=[C;D1]%3D[CD3]C(%3DO)OC&count=all" | tee 18.txt | cat -n | |||
= Private access = | = Private access = | ||
Latest revision as of 17:34, 17 August 2017
Introduction
Here are examples of what you can do with ZINC15, organized by ZINC15:Levels.
Public Access
query ZINC using api
time wget --user gpcr --password xtal -O - "http://zinc15.docking.org/substances.txt:smiles,zinc_id,purchasability? purchasability:gt=10&mwt:le=350&mwt:gt=50&logp:le=3.5&structure.num_rotatable_bonds:le=7&structure:contains=[C;D1]%3D[CD3]C(%3DO)OC&count=all" | tee 18.txt | cat -n
Private access
These require ssh access or a private copy of ZINC