João Aires-de-Sousa
Orcid: 0000-0002-5887-2966
According to our database1,
João Aires-de-Sousa
authored at least 21 papers
between 2001 and 2021.
Collaborative distances:
Collaborative distances:
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Bibliography
2021
Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation.
J. Chem. Inf. Model., 2021
2018
Machine learning for the prediction of molecular dipole moments obtained by density functional theory.
J. Cheminformatics, 2018
Bioinform., 2018
2017
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals.
J. Chem. Inf. Model., 2017
2015
J. Chem. Inf. Model., 2015
2013
J. Cheminformatics, 2013
2012
Models for Identification of Erroneous Atom-to-Atom Mapping of Reactions Performed by Automated Algorithms.
J. Chem. Inf. Model., 2012
2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics, 2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des., 2011
2009
Assignment of EC Numbers to Enzymatic Reactions with MOLMAP Reaction Descriptors and Random Forests.
J. Chem. Inf. Model., 2009
J. Comput. Aided Mol. Des., 2009
2008
Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps.
Bioinform., 2008
2007
J. Chem. Inf. Model., 2007
Prediction of <sup>1</sup>H NMR Coupling Constants with Associative Neural Networks Trained for Chemical Shifts.
J. Chem. Inf. Model., 2007
2006
J. Chem. Inf. Model., 2006
2005
Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers.
J. Chem. Inf. Model., 2005
2004
The Impact of Available Experimental Data on the Prediction of <sup>1</sup>H NMR Chemical Shifts by Neural Networks.
J. Chem. Inf. Model., 2004
Structure-Based Predictions of <sup>1</sup>H NMR Chemical Shifts Using Feed-Forward Neural Networks.
J. Chem. Inf. Model., 2004
2003
Representation of DNA sequences with virtual potentials and their processing by (SEQREP) Kohonen self-organizing maps.
Bioinform., 2003
2001
New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions.
J. Chem. Inf. Comput. Sci., 2001