MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling

Gabriel Corrêa Veríssimo, Simone Queiroz Pantaleão, Philipe de Olveira Fernandes, Jadson Castro Gertrudes, Thales Kronenberger, Káthia Maria Honório, Vinicius Gonçalves Maltarollo. MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling. Journal of Computer-Aided Molecular Design, 37(12):735-754, December 2023. [doi]

Abstract

Abstract is missing.