[Rdkit-discuss] A python client for accessing ChEMBL web services

[Michał N. <mm...@gm...>]

Hi,

I thought this may be of interest to people using RDKit.
ChEMBL Group just released a python library called
chembl_webresource_client. The library simplifies accessing chemical
data using REST webservices, it has some advantages over using simple
requests.py approach:

* Caching results locally in sqliteDB for faster access
* Bulk data retrieval
* Parallel asynchronous requests to API during bulk retrieval
* Ability to use SMILES containing URL-unsafe characters in exactly
same way as safe SMILES
* Lots of syntactic sugar
* Extensive configuration so you can toggle caching, asynchronous
requests, change timeouts, point the client to your local web services
instance and much more.

More details can be found in this blog post:
http://chembl.blogspot.co.uk/2014/05/a-python-client-for-accessing-chembl.html

And one example of using it with RDKit:
http://nbviewer.ipython.org/gist/mnowotka/c21e0d91f80f2c14dd47

--
Kind regards,

Michał Nowotka