Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals. - Florbela Pereira; Kaixia Xiao; Diogo A. R. S. Latino; Chengcheng Wu; Qing-You Zhang; João Aires-de-Sousa (J. Chem. Inf. Model., 2017)

NavMol 3.0: enabling the representation of metabolic reactions by blind users. - Yuri Binev; Daniela Peixoto 001; Florbela Pereira; Ian Rodrigues; Sofia Cavaco; Ana M. Lobo; João Aires-de-Sousa (Bioinform., 2018)

Machine learning for the prediction of molecular dipole moments obtained by density functional theory. - Florbela Pereira; João Aires-de-Sousa (J. Cheminformatics, 2018)

Investigating the structure-activity relationship of marine polycyclic batzelladine alkaloids as promising inhibitors for SARS-CoV-2 main protease (Mpro). - Alaa M. Elgohary; Abdo A. Elfiky; Florbela Pereira; Tarek Mohamed Abd El-Aziz; Mansour Sobeh; Reem K. Arafa; Amr El-Demerdash (Comput. Biol. Medicine, 2022)