Solving NMF with smoothness and sparsity constraints using PALM. - Raimon Fabregat; Nelly Pustelnik; Paulo Gonçalves 001; Pierre Borgnat (CoRR, 2019)

Metric learning for kernel ridge regression: assessment of molecular similarity. - Raimon Fabregat; Puck van Gerwen; Matthieu Haeberle; Friedrich Eisenbrand; Clémence Corminboeuf (Mach. Learn. Sci. Technol., 2022)

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. - Frédéric Célerse; Matthew D. Wodrich; Sergi Vela; Simone Gallarati; Raimon Fabregat; Veronika Jurásková; Clémence Corminboeuf (J. Chem. Inf. Model., 2024)