Additional file 6 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases

Additional file 6 of “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases

Additional file 6: List of DK and their frequency among hERG inhibitors.

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Bibliographische Detailangaben
Hauptverfasser: Manelfi, Candida, Tazzari, Valerio, Lunghini, Filippo, Cerchia, Carmen, Fava, Anna, Pedretti, Alessandro, Stouten, Pieter F. W., Vistoli, Giulio, Beccari, Andrea Rosario
Format: Dataset
Sprache:eng
Schlagworte:
Biochemistry
Biological Sciences not elsewhere classified
Biophysics
Chemical Sciences not elsewhere classified
Environmental Sciences not elsewhere classified
Information Systems not elsewhere classified
Pharmacology
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Beschreibung
Zusammenfassung:Additional file 6: List of DK and their frequency among hERG inhibitors.
DOI:10.6084/m9.figshare.26685099