Application of Density Functional Theoretic Descriptors to Quantitative Structure-Activity Relationships with Temperature Constrained Cascade Correlation Network Models of Nitrobenzene Derivatives

Chemical Research in Chinese Universities

Volumn 22, Issue 4, 2006, Pages 439-442

  Cui, Xiu Jun ^a   Zhang, Zhuo Yong ^a,b   Yuan, Xing ^a   Zhang, Jing Ping ^a   Liu, Si Dong ^a   Guo, Li Ping ^a   Harrington, Peter De B ^c  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b CAPITAL NORMAL UNIVERSITY   (China)

^c OHIO UNIVERSITY   (United States)

Author keywords

BP; DFT; MLR; Nitrobenzene derivative; PCA; QSAR; TCCCN

Indexed keywords

EID: 33748680128     PISSN: 10059040     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1005-9040(06)60137-2     Document Type: Article

References (16)

1. H. Huang X. Wang W. OU Chemosphere 53 2003 963
2. S. Ren Chemosphere 53 2003 1053
3. S. Trohalaki E. Gifford R. Pachter Computers and Chemistry 24 2000 421
4. D.M. Renata S.J. Berenice E.F. Vilma J. Mol. Struc-Theochem. 579 2002 53
5. W.C. Brian T.S. Claudiu J. Mol. Struc-Theochem. 428 1998 109
6. L. Li S. Mao K. Zhao J. Mol. Struc-Theochem. 545 2001 1
7. X. Yuan L. Su L. Song Chem. Res. Chinese Universities 20 1 2004 32
8. X. Ju Q. Dai S. Chen Chem. Res. Chinese Universities 20 6 2004 774
9. P. Niculescu Stefan J. Mol. Struc-Theochem. 622 2003 71
10. A. Yan G. Jiao Z. Hu Computers and Chemistry 24 2000 171
11. A.D. Gonzalez P.G. Lopez G.A. Gustavo Talanta 56 2002 79
12. K.S. Agatonovic R. Beresford A. Pauzi J. Pharmaceut. Biomed. 26 2001 241
13. Peter de B. Harrington Anal. Chem. 70 1998 1297
14. X.J. Cui Z.Y. Zhang B.H. Peter J. Chinese Universities 25 7 2004 1251
15. X. Cui Z. Zhang Y. Ren Talanta 64 2004 943
16. W.J. Zhang L. Xu Chem. J. Chinese Universities 22 7 2001 1134