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Ingest drug -> target information from SMS (small molecular suite) #329
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justaddcoffee opened 4 years ago
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