Interesses Científicos
Development of methods and software in chemoinformatics. Current main projects are: a) automatic learning of chemical reactivity and metabolism, b) prediction of potential energy surfaces to be used in molecular simulations.
Publicações Representativas
"Genome-Scale Classification of Metabolic Reactions: A Chemoinformatics Approach". D. A. R. S. Latino, J. Aires-de-Sousa, Angew. Chem. Int. Ed. 2006, 45 (13), 2066-2069.
"Linking Databases of Chemical Reactions to NMR Data: An Exploration of 1H NMR - Based Reaction Classification". D. A. R. S. Latino, J. Aires-de-Sousa, Anal. Chem. 2007,79, (3), 854-862.
"Neural Networks to Approach Potential Energy Surfaces. Application to a Molecular Dynamics Simulation", D. A. R. S. Latino, F. F. M. Freitas, J. Aires-de-Sousa, F. M. S. Silva Fernandes, Int. J. Quantum Chem. 2007,107, (11), 2120-2132.
"Genome-Scale Classification of Metabolic Reactions and Assignment of EC Numbers with Self-Organizing Maps", D. A. R. S. Latino, J. Aires-de-Sousa, Bioinformatics 2008, 24, 2236-2244.
"Mapping Potential Energy Surfaces by Neural Networks. The Ethanol/Au(111) interface", D. A. R. S. Latino, R. P. S. Fartaria, F. F. M. Freitas, J. Aires-de-Sousa, F. M. S. Silva Fernandes, J. Electroanal. Chem. 2008, 624, 109-120.