MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling. - Gabriel Corrêa Veríssimo; Simone Queiroz Pantaleão; Philipe de Oliveira Fernandes; Jadson Castro Gertrudes; Thales Kronenberger; Káthia Maria Honório; Vinicius Gonçalves Maltarollo (J. Comput. Aided Mol. Des., 2023)

Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches. - Henrique Barbosa; Gabriel Zarzana Espinoza; Maiara Amaral; Erica Valadares de Castro Levatti; Mariana Babberg Abiuzi; Gabriel Corrêa Veríssimo; Philipe de Oliveira Fernandes; Vinicius Gonçalves Maltarollo; Andre Gustavo Tempone; Káthia Maria Honório; João Henrique Ghilardi Lago (J. Chem. Inf. Model., 2024)

Understanding the Enzyme (S)-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones. - Brunno A. Salvatti; Marcelo A. Chagas; Philipe de Oliveira Fernandes; Yan F. X. Ladeira; Aline S. Bozzi; Veronica S. Valadares; Ana Paula Valente; Amanda S. de Miranda; Willian R. Rocha; Vinicius Gonçalves Maltarollo; Adolfo H. Moraes (J. Chem. Inf. Model., 2024)