openmolecules.org

 
Home » DataWarrior » Functionality » 'Search ChEMBL Database' function (Problem with substructure search)
Re: 'Search ChEMBL Database' function [message #377 is a reply to message #376] Tue, 28 August 2018 21:10 Go to previous messageGo to previous message
thomas is currently offline  thomas
Messages: 655
Registered: June 2014
Senior Member
Thank you very much for the hint. I wasn't aware of the problem, which was caused by a recent server
update that now uses 64-bit descriptors rather than 32 bit ones in order to accelerate the search.
Unfortunately this wasn't consistently done and the pre-screening of candidates for the substructure search
didn't work because it expected the wrong type of descriptors.
I updated the server and the problem disappeared. There is still a more cosmetic problem. Large result sets
as dopamine as substructure (which retrieves 207'075 rows) are retrieved, but cause an error when retrieving
retrieving the respective assay descriptions (about 30'000). The error message is inconclusive. After closing
the error dialog DataWarrior opens a window with the 207075 results nonetheless.

Whether I can remove the remaining problem with another server update or whether is comes with the next DataWarrior
update I still need to find out.

Thanks again and best wishes,

Thomas

Report message to a moderator

[Message index]
 
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: Calculating similarity to one query compound
Next Topic: Unable to Create New Form
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Mon Apr 29 06:14:14 CEST 2024

Total time taken to generate the page: 0.04496 seconds
openmolecules.org