"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool. - Candida Manelfi; Marica Gemei; Carmine Talarico; Carmen Cerchia; Anna Fava; Filippo Lunghini; Andrea Rosario Beccari (J. Cheminformatics, 2021)

ProfhEX: AI-based platform for small molecules liability profiling. - Filippo Lunghini; Anna Fava; Vincenzo Pisapia; Francesco Sacco; Daniela Iaconis; Andrea Rosario Beccari (J. Cheminformatics, 2023)

A geometric XAI approach to protein pocket detection. - Giovanni Bocchi; Patrizio Frosini; Alessandra Micheletti; Alessandro Pedretti; Gianluca Palermo; Davide Gadioli; Carmen Gratteri; Filippo Lunghini; Andrea Rosario Beccari; Anna Fava; Carmine Talarico (xAI (Late-breaking Work, Demos, Doctoral Consortium), 2024)

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