Open miquelduranfrigola opened 1 month ago
These are run (see /data folder) but until we have the target information it does not make much sense to look into it too deeply
Thanks. Ideally, we should run REDIAL on:
@GemmaTuron what is the status of this?
We need to delete the cheese compounds that are no longer part of the dataset (because the source molecule was duplicate, or not correctly labelled etc). I also need to re run it on the last set of hopefully final source data.
Thanks @GemmaTuron - let's just be careful with the deletion of CHEESE results since we also have DrugBank search outputs there now.
Hi @GemmaTuron ,
As agreed, we should check the REDIAL model (or any other SARS-CoV-2 model that we have in the hub) and run it in our chemical spaces.