Pubblicazioni

Learning characteristics of graph neural networks predicting protein–ligand affinities

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

Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel

2023 - SCIENTIFIC REPORTS
Mastropietro, Andrea; Feldmann, Christian; Bajorath, Jürgen

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