Dataset Open Access
Supporting Information for the ActivityFinder publication
Emanuel S.R. Ehmki;
Torben Gutermuth;
Tobias Harren;
Stefan Kurtz;
Matthias Rarey
Three supporting data files for the Activityfinder publication are given here.
Two are redundantly saved and also present in the journal article: the unwanted ligand list and the amino acid mapping used for the Activityfinder.
Additionally, a database dump of the complete ActivityDB used for the publication is provided.
Files
(5.6 GB)
| Name | Size | |
|---|---|---|
|
activitydb_chembl35_pdbmirror_25042025-dump.sql
md5:c1eccc436792c7a98a602cd318928971 |
5.6 GB | Download |
|
amino_acid_mapping.csv
md5:b2ef454908be6dddf308a310c512a2f7 |
44.1 kB | Download |
|
unwanted_ligands.csv
md5:c95e570bcf66802a04edf6cdc845253f |
5.7 kB | Download |
- Publication date:
- December 15, 2025
- DOI:
-
- Keyword(s):
- Dataset, Bioactivities, ChEMBL, PDB
- Related identifiers:
- Supplement to:
10.1021/acs.jcim.5c02505 - Communities:
- License (for files):
- Creative Commons Attribution Non Commercial Share Alike 3.0 Unported