Supporting Information for the StrAcTable publication

All supporting data files for the StrAcTable publication and the StrAcTable datasets are given here. Following is a short description of each file: parsed_ligand_data.csv - parsed data of LigandExtactor parsed_structuere_data.csv - parsed data of StructureProfiler parsed_activity_data_raw.csv - parsed activity data of ActivityFinder (activity mode) active_site_data.csv - parsed active site mutation data of ActivityFinder (activity mode) parsed_activity_data_raw_enriched.csv - parsed activity data of ActivityFinder with additional annotated data (activtiy mode) filtered_activites.csv - filtered version of parsed_activity_data_raw_enriched (activity mode) chembl_target_dict_activities.json - json of all chembl targets for each entry (activity mode) refined_active_site_data.json - refined active site data for each entry (activity mode) discarded_target_data_automated_activities.csv - target filtering cascade results (activity mode) parsed_target_data_raw - parsed activity data of ActivityFinder (target mode) parsed_target_data_enriched_raw.csv - parsed activity data of ActivityFinder with additional annotated data (target mode) parsed_target_data_filtered.csv - filtered version of parsed_target_data_enriched_raw (target mode) StrAcTable.csv - merge of ligand data, structure data and enriched activity data (activity mode) StrAcTable_filtered.csv - merge of ligand data, structure data and filtered activity data (activity mode) StrAcTableT.csv - merge of ligand data, structure data and enriched activity data (target mode) StrAcTableT_filtered.csv - merge of ligand data, structure data and filtered activity data (target mode) StrAcTable_comments.json - csvw explanation for all columns in StrAcTable Sunburst_plot_pdb.html - sunburst plot of the target hierarchy for all pdb entries in StrAcTable For further details please consult the publication.