Dataset Open Access

Supporting Information for the ActivityFinder publication

Emanuel S.R. Ehmki; Torben Gutermuth; Tobias Harren; Stefan Kurtz; Matthias Rarey

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{"DOI":"10.25592/uhhfdm.18143","abstract":"<p>Three supporting data files for the Activityfinder publication are given here.<br>\nTwo are redundantly saved and also present in the journal article: the unwanted ligand list and the amino acid mapping used for the Activityfinder.<br>\nAdditionally, a database dump of the complete ActivityDB used for the publication is provided.</p>","author":[{"family":"Emanuel S.R. Ehmki"},{"family":"Torben Gutermuth"},{"family":"Tobias Harren"},{"family":"Stefan Kurtz"},{"family":"Matthias Rarey"}],"id":"18143","issued":{"date-parts":[[2025,12,15]]},"title":"Supporting Information for the ActivityFinder publication","type":"dataset","version":"1.0.0"}
Publication date:
December 15, 2025
DOI:
10.25592/uhhfdm.18143

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Keyword(s):
Dataset, Bioactivities, ChEMBL, PDB
Related identifiers:
Supplement to:
10.1021/acs.jcim.5c02505
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License (for files):
Creative Commons Attribution Non Commercial Share Alike 3.0 Unported

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Version 1.0.0 10.25592/uhhfdm.18143 Dec 15, 2025
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