January 13, 2026 Dataset Open Access

Gutermuth, Torben; Ehmki, Emanuel S.R.; Flachsenberg, Florian; Penner, Patrick; Hönig, Sophia M.N.; Harren, Tobias; Rarey, Matthias

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{"DOI":"10.25592/uhhfdm.18244","abstract":"<p>All supporting data files for the StrAcTable publication and the StrAcTable datasets are given here.</p>\n\n<p>Following is a short description of each file:<br>\nparsed_ligand_data.csv - parsed data of LigandExtactor<br>\nparsed_structuere_data.csv - parsed data of StructureProfiler<br>\nparsed_activity_data_raw.csv - parsed activity data of ActivityFinder (activity mode)<br>\nactive_site_data.csv - parsed active site mutation data of ActivityFinder (activity mode)<br>\nparsed_activity_data_raw_enriched.csv - parsed activity data of ActivityFinder with additional annotated data (activtiy mode)<br>\nfiltered_activites.csv - filtered version of parsed_activity_data_raw_enriched (activity mode)<br>\nchembl_target_dict_activities.json - json of all chembl targets for each entry (activity mode)<br>\nrefined_active_site_data.json - refined active site data for each entry (activity mode)<br>\ndiscarded_target_data_automated_activities.csv - target filtering cascade results (activity mode)<br>\nparsed_target_data_raw - parsed activity data of ActivityFinder (target mode)<br>\nparsed_target_data_enriched_raw.csv - parsed activity data of ActivityFinder with additional annotated data (target mode)<br>\nparsed_target_data_filtered.csv - filtered version of parsed_target_data_enriched_raw (target mode)<br>\nStrAcTable.csv - merge of ligand data, structure data and enriched activity data (activity mode)<br>\nStrAcTable_filtered.csv - merge of ligand data, structure data and filtered activity data (activity mode)<br>\nStrAcTableT.csv - merge of ligand data, structure data and enriched activity data (target mode)<br>\nStrAcTableT_filtered.csv - merge of ligand data, structure data and filtered activity data (target mode)<br>\nStrAcTable_comments.json - csvw explanation for all columns in StrAcTable<br>\nSunburst_plot_pdb.html - sunburst plot of the target hierarchy for all pdb entries in StrAcTable</p>\n\n<p>For further details please consult the publication.</p>","author":[{"family":"Gutermuth, Torben"},{"family":"Ehmki, Emanuel S.R."},{"family":"Flachsenberg, Florian"},{"family":"Penner, Patrick"},{"family":"H\u00f6nig, Sophia M.N."},{"family":"Harren, Tobias"},{"family":"Rarey, Matthias"}],"id":"18244","issued":{"date-parts":[[2026,1,13]]},"title":"Supporting Information for the StrAcTable publication","type":"dataset","version":"1.0.0"}