| pchembl values [message #1132] |
Tue, 24 November 2020 10:52  |
evehom
Messages: 10
Registered: May 2015
Location: Stockholm, Sweden
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Junior Member |
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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
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| Re: pchembl values [message #1142 is a reply to message #1136] |
Sun, 29 November 2020 00:08  |
thomas
Messages: 715
Registered: June 2014
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Senior Member |
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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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