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""DompeKeys": a set of novel substructure-based descriptors for ..."

Candida Manelfi et al. (2024)

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DOI: 10.1186/S13321-024-00813-4

access: open

type: Journal Article

metadata version: 2024-03-11

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Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari:
"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. J. Cheminformatics 16(1): 21 (2024)

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