A Study on the Antipicornavirus Activity of Flavonoid Compounds (Flavones) by Using Quantum Chemical and Chemometric Methods. - Jaime Souza Jr.; Fábio A. Molfetta; Káthia Maria Honório; Regina H. A. Santos; Albérico B. F. da Silva (J. Chem. Inf. Model., 2004)

Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery. - Celio F. Lipinski; Vinicius Gonçalves Maltarollo; Patrícia R. Oliveira 001; Albérico B. F. da Silva; Káthia Maria Honório (Frontiers Robotics AI, 2019)

OntoQSAR: an Ontology for Interpreting Chemical and Biological Data in Quantitative Structure-Activity Relationship Studies. - Rafaela M. Angelo; Andreia K. Io; Matheus P. Almeida; Rafael G. Silveira; Patrícia R. Oliveira 001; Jose J. P. Alcazar; Káthia Maria Honório; Fernanda Bettanin (ICSC, 2020)

Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment. - Robert Malory Alarcon Flores; Simone Queiroz Pantaleão; Sheila Cruz Araujo; Humberto Miguel Garay-Malpartida; Káthia Maria Honório (Comput. Biol. Chem., 2023)

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)