Pubblicazioni

Learning characteristics of graph neural networks predicting protein–ligand affinities

2023 - NATURE MACHINE INTELLIGENCE
Mastropietro, Andrea; Pasculli, Giuseppe; Bajorath, Jürgen

EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks

2022 - ISCIENCE
Mastropietro, Andrea; Pasculli, Giuseppe; Feldmann, Christian; Rodríguezpérez, Raquel; Bajorath, Jürgen

Protocol to explain graph neural network predictions using an edge-centric Shapley value-based approach

2022 - STAR PROTOCOLS
Mastropietro, Andrea; Pasculli, Giuseppe; Bajorath, Jürgen

© Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma