Filippo Lunghini

11 papers Journal 8Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
GENEOnet: Statistical analysis supporting explainability and trustworthiness.
CoRR
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, Alessandro Pedretti, Carmen Gratteri, Filippo Lunghini, Andrea Rosario Beccari, Carmine Talarico
2025 J jnl
Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models.
J. Cheminformatics
Ludovica Bono, Filippo Lunghini, Emanuela Sabato, Akash Deep Biswas, Angelica Mazzolari, Alessandro Pedretti, Andrea Rosario Beccari, Giulio Vistoli, Serena Vittorio
2025 J jnl
ProfhEX: Empowering Early Drug Discovery with Machine Learning-Based Target Profiling and Liability Prediction.
J. Chem. Inf. Model.
Filippo Lunghini, Carmen Cerchia, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Andrea Rosario Beccari
2024 J jnl
"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
Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari
2024 — conf
A geometric XAI approach to protein pocket detection.
xAI (Late-breaking Work, Demos, Doctoral Consortium)
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, Alessandro Pedretti, Gianluca Palermo, Davide Gadioli, Carmen Gratteri, Filippo Lunghini, Andrea Rosario Beccari, Anna Fava, Carmine Talarico
2024 — conf
LIGATE - LIgand Generator and portable drug discovery platform AT Exascale.
CF (Companion)
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Yuedong Zhang, Emanuele Vitali, Bruno Guindani, Danilo Ardagna, Cristina Silvano, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Akash Deep Biswas, Jan Martinovic, Martin Golasowski, Paulo Silva, Ada Böhm, Jakub Beránek, Jan Krenek, Branislav Jansik, Peter Thoman, Philip Salzmann, Thomas Fahringer, Torsten Schwede, Leila Tamara Alexander, Gerardo Tauriello, Janani Durairaj, Biagio Cosenza, Luigi Crisci, Andrew Emerson, Federico Ficarelli, Erik Lindahl, Sebastian Wingbermühle, Daniele Gregori, Silvano Coletti, Emanuele Sana, Philipp Gschwandtner
2023 J jnl
ProfhEX: AI-based platform for small molecules liability profiling.
J. Cheminformatics
Filippo Lunghini, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Daniela Iaconis, Andrea Rosario Beccari
2023 — conf
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach.
CF
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beránek, Jan Krenek, Branislav Jansik, Biagio Cosenza, Luigi Crisci, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila T. Alexander, Gerardo Tauriello, Torsten Schwede, Janani Durairaj, Andrew Emerson, Federico Ficarelli, Sebastian Wingbermühle, Erik Lindahl, Daniele Gregori, Emanuele Sana, Silvano Coletti, Philipp Gschwandtner
2023 J jnl
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach.
CoRR
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beránek, Jan Krenek, Branislav Jansik, Luigi Crisci, Biagio Cosenza, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila T. Alexander, Gerardo Tauriello, Torsten Schwede, Janani Durairaj, Andrew Emerson, Federico Ficarelli, Sebastian Wingbermühle, Erik Lindahl, Daniele Gregori, Emanuele Sana, Silvano Coletti, Philipp Gschwandtner
2022 J jnl
GENEOnet: A new machine learning paradigm based on Group Equivariant Non-Expansive Operators. An application to protein pocket detection.
CoRR
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, Alessandro Pedretti, Carmen Gratteri, Filippo Lunghini, Andrea Rosario Beccari, Carmine Talarico
2021 J jnl
"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool.
J. Cheminformatics
Candida Manelfi, Marica Gemei, Carmine Talarico, Carmen Cerchia, Anna Fava, Filippo Lunghini, Andrea Rosario Beccari