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justaddcoffee
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Inget drug -> target information from SMS (small molecular suite)
Ingest drug -> target information from SMS (small molecular suite)
Sep 14, 2020
Name of the dataset
Ingest drug -> target information from SMS, available here are a tar file:
https://labsyspharm.shinyapps.io/smallmoleculesuite/_w_4fb0f5cc/sms/assets/downloads/sms_tables_chembl_v25.tar
Mapping or relevant fields
A good start would be to map drugs (chembl IDs) to targets (uniprot IDs) using this file:
lsp_target_mapping.csv.gz
and possibly also add the TAS score in this file for each interaction:
lsp_tas.csv.gz
Additional context
From discussion with Justin, Chris and Nienke Moret
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