openmolecules.org Forum: Cheminformatics

Home » DataWarrior » Cheminformatics » chembl server (chembl server)

Show: Today's Messages :: Polls :: Message Navigator

Re: chembl server [message #678 is a reply to message #671]

Mon, 21 October 2019 21:13

thomas
Messages: 736
Registered: June 2014

Senior Member

DataWarrior is accessing a copy of the Chembl database on openmolecules.org.
This server is optimized for fast structure search and result retrieval and is accessible via http.

For your purpose the fastest approach would probably be to download the Chembl database in MySQL,
install it on your server and access it via SQL language. From python this should be possible.

Alternatively, as you suggest, you may, of course, use DataWarrior for target specific downloads.
DataWarrior plugins are meant for getting data into DataWarrior, not for export.

Thomas

Report message to a moderator

[Message index]

		chembl server By: pc419714@ohio.edu on Sun, 13 October 2019 19:30
		Re: chembl server By: thomas on Mon, 21 October 2019 21:13
		Re: chembl server By: pc419714@ohio.edu on Sat, 02 November 2019 17:07

Previous Topic:	Computational Chemistry
Next Topic:	MD/ab initio for polymer solubility?

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Oct 03 09:26:00 CEST 2025

Total time taken to generate the page: 1.06720 seconds