Publications
Articles
Year 2008
20. Qing-You Zhang , Lu Xu. Method of Atom-pair Space Distance and its appalication . Chem. J. Chin. Univ. 2008 , 29 (7), 1438-1442.
19. Qing-You Zhang, Jo?o Aires-de-Sousa, Lu Xu. Chirality codes and applications. Comput. Appl. Chem. 2008 , 25(6), 733-736.
Year 2007
18. Qing-You Zhang, Joao Aires-de-Sousa. Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors. J. Chem. Inf. Model. 2006,47(1),1-8.
Year 200617. Lu Xu, Qing-You Zhang, Jun Wang, Lin Dong. Extended Topological Indices and Prediction of Activities of Chiral Compounds. Chemometr Intell Lab, 2006, 82 (1-2), 37-43.
16. Joao Aires-de-Sousa, Qing-You Zhang. In silico prediction of mutagenicity using molecular maps of atom-level properties (MOLMAPs) and empirical physicochemical descriptors. Amer. Chem. Soc. Abst. of Papers. 231: 91-CINF MAR 26, 2006.
15. Qing-You Zhang, Joao Aires-de-Sousa. Physicochemical Stereodescriptors of Atomic Chiral Centers. J. Chem. Inf. Model. 2006,46(6),2278-2287.
Year 200514. Qing-You Zhang, Goncalo Carrera, Mario J. S. Gomes, and Joao Aires-de-Sousa. Automatic Assignment of Absolute Configuration from 1D NMR Data. J. Org. Chem. 2005, 70 (6), 2120-2130. Abstract Full: HTML / PDF (452K)
13. Qing-You Zhang, Joao Aires-de-Sousa. Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers. J. Chem. Inf. Model.2005, 45(6), 1775-1783. Abstract Full: HTML / PDF (269K) Supporting Info
Year 200412. Qing-You Zhang, Yu-Hua Qi, Jun Wang, Cao-Cao Luo, Lu Xu. Applications of the Periphery of Projection in Studies on the Quantitative Structure-activity Relationship of Nitrobenzenes. Chem. J. Chin. Univ. 2004, 25 (4), 622-626.
11. Qing-You Zhang, Yu-Hua Qi, Jun Wang, Lin Dong, Lu Xu. Prediction of Properties of Chiral Compounds by Extending Am Index. Chem. J. Chin. Univ. 2004, 25 (8), 1438-1441.
10. Yu-Hua Qi, Qing-You Zhang, Cao-Cao Luo, Jun Wang, Lu Xu. Application of Tree Structured Fingerprint to the Prediction of Pk(a) of Pyridine Derivatives. Chem. J. Chin. Univ. 2004, 25 (6), 1100-1103.
9. Qing-You Zhang, Cao-Cao Luo, Yu-Hua Qi, Lin Dong, Jun Wang, Lu Xu. Peripheries of Molecular Projection in Three-dimensional Space and Studies of Quantitative Structure-activity Relationship. Chin. J. Chem. 2004, 22 (6), 605-610.
8. Jun Wang, Qing-You Zhang, Lin Dong, Lu Xu. Chiral Topological Charge Indices and Quantitative Structure-activity Relationship. Comput. Appl. chem. 2004, 21(6), 849-851.
7. Jun Wang, Qing-You Zhang, Yu-Hua Qi, Lu Xu. Topology Indices and QSAR Studies of Chiral Compounds. Acta Chimica Sinica.2004, 62 (19), 1907-1911.
Year 20026. 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., 2002, 42, 1471-1475. Abstract Full: HTML / PDF (85K)
5. Qing-You Zhang, Lu Xu. Application of Atom-Triple Method in Studies on Quantitative Structure-Activity Relationship. Chin. J. Appl. Chem.. 2002, 19(5): 420-424.
4. Qing-You Zhang, Lu Xu, Wen-jun Zhang. Applications of Generalized Torsion Angles in Studies on Quantitative Structure-activity Relationship. Chem. J. Chin. Univ.. 2002, 23(6): 1053-1055.
3. Qing-You Zhang, Lu Xu. Graphical Representation and Similarity of DNA Primary Sequences. Chem. J. Chin. Univ.. 2002, 23(7), 1255-1258.
2. Qing-You Zhang, Lu Xu. Applications of the Method of Three Dimensional Projection of a Molecule on Quantitative Structure-activity Relationship of Phenol Derivatives. Chem. J. Chin. Univ. 2002, 23(11), 2125-2128.
1. Yu-Hua Qi, Lu Xu, Qing-You Zhang. Studies on Structures and pKa Values of Benzoic Acid Derivatives. Comput. Appl. Chem. 2002, 19(1), 57-59.
Oral presentation
Poster