Dataset Open Access
Supporting Information for the StrAcTable publication
Gutermuth, Torben;
Ehmki, Emanuel S.R.;
Flachsenberg, Florian;
Penner, Patrick;
Hönig, Sophia M.N.;
Harren, Tobias;
Rarey, Matthias
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.
| Name | Size | |
|---|---|---|
|
active_site_data.csv
md5:bb9d63e65108b93d01e9a4bcdcafe0f8 |
8.8 GB | Download |
|
chembl_target_dict_activities.json
md5:6d95ec6b1bbd828a222de9ff99506cc5 |
63.9 MB | Download |
|
chembl_target_dict_targetmode.json
md5:821e287744390b784f0cb0d96de24a27 |
141.2 MB | Download |
|
discarded_target_data_automated_activities.csv
md5:6a59967b3dd09c2d68a86d0c572d2131 |
1.9 MB | Download |
|
discarded_target_data_automated_targets.csv
md5:7a1a71171d3cd32fb40d97ead5c5d3fb |
10.6 MB | Download |
|
filtered_activities.csv
md5:04aed7a42b10dac2a74f4f5ccd3010ba |
336.5 MB | Download |
|
parsed_activity_data_raw.csv
md5:8a6a9fbf25a17f39bd9dcd8723edf713 |
1.3 GB | Download |
|
parsed_activity_data_raw_enriched.csv
md5:63fe1ad8e63a067cd1d55003652b2b37 |
2.0 GB | Download |
|
parsed_ligand_data.csv
md5:3905d9bc35987124e74e638b5988fa14 |
176.1 MB | Download |
|
parsed_structure_data.csv
md5:7861e60d4a08c1f5326612b03a20bd07 |
200.2 MB | Download |
|
parsed_target_data_enriched_raw.csv
md5:e7b1041effc923b5869a29555ffcbfa3 |
838.8 MB | Download |
|
parsed_target_data_filtered.csv
md5:ba4b17707ba7cdfa7d7f09428abb430d |
31.7 MB | Download |
|
parsed_target_data_raw.csv
md5:bc82f10b98e5c9a7419545e8369569ed |
532.1 MB | Download |
|
refined_active_site_data.json
md5:e940405b7ba60a93e26a34b8efcf4a4b |
441.3 MB | Download |
|
StrAcTable.csv
md5:e3f71c02bcee2542ec4c8280a397b0f3 |
3.1 GB | Download |
|
StrAcTable_comments.json
md5:10731f95174881fe619461accf22f124 |
40.4 kB | Download |
|
StrAcTable_filtered.csv
md5:ce0e0ff2104c407005d945ce3a02fa9d |
1.0 GB | Download |
|
StrAcTableT.csv
md5:0e456a76d58542be11db8c2e248ade8f |
16.0 GB | Download |
|
StrAcTableT_filtered.csv
md5:ed0c6cdb44415940dcf8d495e5774b07 |
1.1 GB | Download |
|
sunburst_plot_pdb.html
md5:aee4b093b6d9ae393ad1c660b6a0b8c0 |
4.6 MB | Download |
- Publication date:
- January 13, 2026
- DOI:
-
- Keyword(s):
- Dataset, Bioactivities, ChEMBL, PDB
- Related identifiers:
- Supplement to:
10.64898/2026.01.15.699426 - Communities:
- License (for files):
- Creative Commons Attribution Non Commercial Share Alike 3.0 Unported