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Is the chembl prior centered around 0? If so, this seems wrong and we should adjust accordingly if we ever plan to use this: https://github.com/choderalab/assaytools/blob/master/AssayTools/pymcmodels.…
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This is just to remind us that the links in wikipedia need to be updated to those on the new interface
e.g. https://en.wikipedia.org/wiki/Sildenafil. needs to point to the new version of this:
ht…
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Hi @ahmetrifaioglu ,
I got an error message.
[abc@login01 trainingFiles]$ unzip chembl_23_chemreps.txt.zip
Archive: chembl_23_chemreps.txt.zip
End-of-central-directory signature not found…
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E.g. on [`CHEMBL1201631` Compound Report Card](https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201631/), there is only one drug mechanism record. However, [http://mychem.info/v1/chem/CHEMBL12…
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Great work!
But I have a sample question.
Why do we use these values for normalization?
How to get these values?
```
dists={
'VSA_EState1': ('betaprime', (0.12979362790686721, 2.0084510281…
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Dear developers and users,
I have a 100% fresh Ubuntu machine, and I've successfully installed VirtualBox with MyChEMBL. As we speak, I'm inside the myChEMBL virtual machine attempting to set up OCE…
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The chemical space is a mess. There are lots of compounds that do have chembls & chebis & pubchems, but there's also a lot of compounds that are only in one or another.
Only CHEBI though is i…
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Aggressive systemic mastocytosis (ASM) is a rare disease. I have a family member who was diagnosed with it on 06/09/23.
ChEMBL has two FDA approved drugs prescribed for this: MIDOSTAURIN (Approved i…
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Add CHEMBL.TARGET as a xref field for MyGene.info.
{
"chembl_target": "CHEMBL1223344"
}
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Example file: https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_30_sqlite.tar.gz
When trying to extract the file called "chembl_30.db" file size = 0 and extraction fails.
```
usin…