ZINC api: Difference between revisions

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Here we explain how to access ZINC via an application programming interface (api)
Here we explain how to access ZINC programmatically. Currently, there are a number of pages on this topic, which we intend to re-write in a more formal way.


Please note that this is for zinc13 and beyond that is based on rdkit and psql.  Previously, zinc was in mysql.
* [[ZINC Command Language]] - RESTful API to many ZINC objects and functions
*





Revision as of 13:31, 1 May 2014

Here we explain how to access ZINC programmatically. Currently, there are a number of pages on this topic, which we intend to re-write in a more formal way.


ZINC api (r/w)

models defines tables, what columns they have, relationships

managers defines higher-level common queries

The ZINC api is composed of many managers (one for substances, one for catalogs, one for targets, etc)

You can do things like this with a manager:

in_stock = zinc.catalogs.query(Catalog.purchasbility==1)


ZINC access at the psql/SQL level (r/w) NB please be careful!

ZINC access via http (ro, safe)

How else do we want to support accessing ZINC?