Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps. - Diogo A. R. S. Latino; Qing-You Zhang; João Aires-de-Sousa (Bioinform., 2008)

Automatic learning for the classification of chemical reactions and in statistical thermodynamics - Diogo A. R. S. Latino (2008)

Assignment of EC Numbers to Enzymatic Reactions with MOLMAP Reaction Descriptors and Random Forests. - Diogo A. R. S. Latino; João Aires-de-Sousa (J. Chem. Inf. Model., 2009)

A big data approach to the ultra-fast prediction of DFT-calculated bond energies. - Xiaohui Qu; Diogo A. R. S. Latino; João Aires-de-Sousa (J. Cheminformatics, 2013)

Expert System for Predicting Reaction Conditions: The Michael Reaction Case. - Gilles Marcou; João Aires-de-Sousa; Diogo A. R. S. Latino; Aurélie de Luca; Dragos Horvath; V. Rietsch; Alexandre Varnek (J. Chem. Inf. Model., 2015)

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)