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:<br>
parsed_ligand_data.csv - parsed data of LigandExtactor<br>
parsed_structuere_data.csv - parsed data of StructureProfiler<br>
parsed_activity_data_raw.csv - parsed activity data of ActivityFinder (activity mode)<br>
active_site_data.csv - parsed active site mutation data of ActivityFinder (activity mode)<br>
parsed_activity_data_raw_enriched.csv - parsed activity data of ActivityFinder with additional annotated data (activtiy mode)<br>
filtered_activites.csv - filtered version of parsed_activity_data_raw_enriched (activity mode)<br>
chembl_target_dict_activities.json - json of all chembl targets for each entry (activity mode)<br>
refined_active_site_data.json - refined active site data for each entry (activity mode)<br>
discarded_target_data_automated_activities.csv - target filtering cascade results (activity mode)<br>
parsed_target_data_raw - parsed activity data of ActivityFinder (target mode)<br>
parsed_target_data_enriched_raw.csv - parsed activity data of ActivityFinder with additional annotated data (target mode)<br>
parsed_target_data_filtered.csv - filtered version of parsed_target_data_enriched_raw (target mode)<br>
StrAcTable.csv - merge of ligand data, structure data and enriched activity data (activity mode)<br>
StrAcTable_filtered.csv - merge of ligand data, structure data and filtered activity data (activity mode)<br>
StrAcTableT.csv - merge of ligand data, structure data and enriched activity data (target mode)<br>
StrAcTableT_filtered.csv - merge of ligand data, structure data and filtered activity data (target mode)<br>
StrAcTable_comments.json - csvw explanation for all columns in StrAcTable<br>
Sunburst_plot_pdb.html - sunburst plot of the target hierarchy for all pdb entries in StrAcTable

For further details please consult the publication.