João Aires-de-Sousa

Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko: Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. Journal of Computer-Aided Molecular Design 25(6): 533-554 (2011)

Gonçalo V. S. M. Carrera, Sunil Gupta, João Aires-de-Sousa: Machine learning of chemical reactivity from databases of organic reactions. Journal of Computer-Aided Molecular Design 23(7): 419-429 (2009)

Diogo A. R. S. Latino, Qing-You Zhang, João Aires-de-Sousa: Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps. Bioinformatics 24(19): 2236-2244 (2008)

Qing-You Zhang, João Aires-de-Sousa: Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers. Journal of Chemical Information and Modeling 45(6): 1775-1783 (2005)

João Aires-de-Sousa, Johann Gasteiger, Ivan Gutman, Dusica Vidovic: Chirality Codes and Molecular Structure. Journal of Chemical Information and Modeling 44(3): 831-836 (2004)

Yuri Binev, João Aires-de-Sousa: Structure-Based Predictions of ¹H NMR Chemical Shifts Using Feed-Forward Neural Networks. Journal of Chemical Information and Modeling 44(3): 940-945 (2004)

Yuri Binev, Marta Corvo, João Aires-de-Sousa: The Impact of Available Experimental Data on the Prediction of ¹H NMR Chemical Shifts by Neural Networks. Journal of Chemical Information and Modeling 44(3): 946-949 (2004)

João Aires-de-Sousa, Luisa Aires-de-Sousa: Representation of DNA sequences with virtual potentials and their processing by (SEQREP) Kohonen self-organizing maps. Bioinformatics 19(1): 30-36 (2003)

João Aires-de-Sousa, Johann Gasteiger: New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions. Journal of Chemical Information and Computer Sciences 41(2): 369-375 (2001)