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STAR Protocols|April 12, 2024
Protocol to explain support vector machine predictions via exact Shapley value computationAndrea Mastropietro, Jürgen BajorathSTAR Protocols|January 3, 2023
Protocol to explain graph neural network predictions using an edge-centric Shapley value-based approachAndrea Mastropietro, Giuseppe Pasculli, Jürgen BajorathScientific Reports|November 10, 2023
Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernelAndrea Mastropietro, Christian Feldmann, Jürgen BajorathScientific Reports|June 29, 2026
Explainable artificial intelligence reveals divergent learning in pharmacophore-based hierarchical pooling graph neural networksMaria Julia Teja Urrutia, Andrea Mastropietro, Jürgen BajorathIscience|September 22, 2022
EdgeSHAPer: Bond-centric Shapley value-based explanation method for graph neural networksAndrea Mastropietro, Giuseppe Pasculli, Christian Feldmann, et al.Expert Opinion on Drug Discovery|March 20, 2013
Computational approaches in chemogenomics and chemical biology: current and future impact on drug discoveryJürgen BajorathF1000Research|June 23, 2015
Entering new publication territory in chemoinformatics and chemical information scienceJürgen BajorathPageof 54