Correlation Analysis of the Structures and Stability Constants of Gadolinium(III) Complexes. - Yu-Hua Qi; Qing-You Zhang; Lu Xu (J. Chem. Inf. Comput. Sci., 2002)

Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers. - Qing-You Zhang; João Aires-de-Sousa (J. Chem. Inf. Model., 2005)

Physicochemical Stereodescriptors of Atomic Chiral Centers. - Qing-You Zhang; João Aires-de-Sousa (J. Chem. Inf. Model., 2006)

Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors. - Qing-You Zhang; João Aires-de-Sousa (J. Chem. Inf. Model., 2007)

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

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. - 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; et al. (J. Comput. Aided Mol. Des., 2011)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. - 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; et al. (J. Cheminformatics, 2011)

Extension of a Highly Discriminating Topological Index. - Qing-You Zhang; Chengcheng Wu; Fangfang Zheng; Tanfeng Zhao; Yanmei Zhou; Lu Xu (J. Chem. Inf. Model., 2015)

Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals. - Florbela Pereira; Kaixia Xiao; Diogo A. R. S. Latino; Chengcheng Wu; Qing-You Zhang; João Aires-de-Sousa (J. Chem. Inf. Model., 2017)

Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation. - Rafael Mamede; Bruno Simões de-Almeida; Mengyao Chen; Qing-You Zhang; João Aires-de-Sousa (J. Chem. Inf. Model., 2021)