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2020 – today
- 2021
[j10]Rafael Mamede, Bruno Simões de-Almeida, Mengyao Chen, Qing-You Zhang
, João Aires-de-Sousa:
Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation. J. Chem. Inf. Model. 61(1): 67-75 (2021)
2010 – 2019
- 2017
- [j9]Florbela Pereira, Kaixia Xiao, Diogo A. R. S. Latino, Chengcheng Wu, Qing-You Zhang, João Aires-de-Sousa:
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals. J. Chem. Inf. Model. 57(1): 11-21 (2017) - 2015
- [j8]Qing-You Zhang, Chengcheng Wu, Fangfang Zheng, Tanfeng Zhao, Yanmei Zhou, Lu Xu:
Extension of a Highly Discriminating Topological Index. J. Chem. Inf. Model. 55(7): 1308-1315 (2015) - 2011
- [j7]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 A. 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. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j6]Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, 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 A. Grishina, Johann Gasteiger, 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. J. Cheminformatics 3(S-1): 20 (2011)
2000 – 2009
- 2008
- [j5]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. Bioinform. 24(19): 2236-2244 (2008) - 2007
- [j4]Qing-You Zhang, João Aires-de-Sousa:
Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors. J. Chem. Inf. Model. 47(1): 1-8 (2007) - 2006
- [j3]Qing-You Zhang, João Aires-de-Sousa:
Physicochemical Stereodescriptors of Atomic Chiral Centers. J. Chem. Inf. Model. 46(6): 2278-2287 (2006) - 2005
- [j2]Qing-You Zhang, João Aires-de-Sousa:
Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers. J. Chem. Inf. Model. 45(6): 1775-1783 (2005) - 2002
- [j1]Yu-Hua Qi, Qing-You Zhang, Lu Xu:
Correlation Analysis of the Structures and Stability Constants of Gadolinium(III) Complexes. J. Chem. Inf. Comput. Sci. 42(6): 1471-1475 (2002)
Coauthor Index
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