"DompeKeys": a set of novel substructure-based descriptros for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
23/02/2024
Authors: Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli & Andrea Rosario Beccari
Published in:
Journal of Cheminformatics