openmolecules.org Forum: Cheminformatics » Importing compounds with assay data from Pubchem into Datawarrior

Home » DataWarrior » Cheminformatics » Importing compounds with assay data from Pubchem into Datawarrior (PubChem - importing to Datawarrior)

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

Re: Importing compounds with assay data from Pubchem into Datawarrior [message #1379 is a reply to message #1360]

Thu, 19 August 2021 20:56

thomas
Messages: 742
Registered: June 2014

Senior Member

Hi Jon and Norwid,

I can confirm that Jon's URL now works, but I remember I had trouble before.
Structure retrieval based on names is the second best solution, although the
openmolecules server knows most of the PubChem names unless they are very long.

If you can get an SD-File with SIDs or CIDs, the result will be more complete
and potentially may have less errors.

Thomas

Report message to a moderator

[Message index]

		Importing compounds with assay data from Pubchem into Datawarrior By: Jo W on Fri, 23 July 2021 13:12
		Re: Importing compounds with assay data from Pubchem into Datawarrior By: thomas on Fri, 23 July 2021 15:17
		Re: Importing compounds with assay data from Pubchem into Datawarrior By: Jo W on Fri, 23 July 2021 18:39
		Re: Importing compounds with assay data from Pubchem into Datawarrior By: Jo W on Sun, 25 July 2021 17:18
		Re: Importing compounds with assay data from Pubchem into Datawarrior By: nbehrnd on Mon, 26 July 2021 21:55
		Re: Importing compounds with assay data from Pubchem into Datawarrior By: thomas on Thu, 19 August 2021 20:56
		Re: Importing compounds with assay data from Pubchem into Datawarrior By: YTWu on Thu, 10 February 2022 11:07

Previous Topic:	LE, LLE & LELP
Next Topic:	retrosyntheis tools

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Mar 14 20:29:01 CET 2026

Total time taken to generate the page: 0.00728 seconds