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