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Qing-You Zhang
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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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