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pchembl values [message #1132] Tue, 24 November 2020 10:52 Go to next message
evehom is currently offline  evehom
Messages: 10
Registered: May 2015
Location: Stockholm, Sweden
Junior Member
Hi,

The ability to import data directly from ChEMBL is great, but the reported Units (nM, %, mM etc) can be very mixed, and require filtering and conversion. Would it be possible to add (join) the pchembl_value field from the activities table in ChEMBL, as this is a standardized activity value that could be used straight off for (Q)SAR analyses?

Thanks/Evert
Re: pchembl values [message #1136 is a reply to message #1132] Thu, 26 November 2020 13:28 Go to previous messageGo to next message
thomas is currently offline  thomas
Messages: 646
Registered: June 2014
Senior Member
this absolutely makes sense. I am currently updating to Chembl27 and check whether I can include the pvalue without sacrificing compatibility to older DataWarrior installations.
Re: pchembl values [message #1142 is a reply to message #1136] Sun, 29 November 2020 00:08 Go to previous message
thomas is currently offline  thomas
Messages: 646
Registered: June 2014
Senior Member
Now the server is updated to use Chembl27 and to provide pValues. To retrieve them you need to use the newest DataWarrior development patch, which is downloadable from the download page after clicking 'read and understood'. The link is in the fine print!
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