MASSA Algorithm: automated rational sampling of training and test subsets for QSAR modelling - Veríssimo, Gabriel Corrêa; Simone Queiroz Panteleão; Gertrudes, Jadson Castro; Kronenberger, Thales; Honorio, Kathia Maria; Maltarollo, Vinícius Gonçalves (Journal of Computer - Aided Molecular Design, 2023)