QSAR study of dihydrofolate reductase inhibitors activities based on optimization of correlation weights of local graph invariants

Journal of the Iranian Chemical Society

Volumn 9, Issue 3, 2012, Pages 269-276

  Kompany Zareh, Mohsen ^a   Khoshkam, Maryam ^a  

^a INSTITUTE FOR ADVANCED STUDIES IN BASIC SCIENCES IASBS   (Iran)

Author keywords

CWLGI; Dihydrofolate reductase inhibitors; Genetic algorithm; PLS; Radial basis function

Indexed keywords

EID: 84863670232     PISSN: 1735207X     EISSN: 17352428     Source Type: Journal    
DOI: 10.1007/s13738-011-0021-z     Document Type: Article

References (37)

1. T.-L. Chiu, S.-S. So, J. Chem. Inf. Comput. Sci. 44, 154-160 (2004)
2. C. D. Selassie, R. L. Li, M. Poe, C. Hansch, J. Med. Chem. 34, 46-54 (1991)
3. S. S. So, W. G. Richards, J. Med. Chem. 35, 3201-3207 (1992)
4. R. D. King, A. Srinivasan, J. Comput, Aided Mol. Des. 11, 571-580 (1997)
5. E. A. Castro, A. A. Toropov, A. I. Nesterova, A. U. Nazarov, J. Mol. Struct. (Theochem) 639, 129-135 (2003)
6. G. Krenkel, E. A. Castro, A. A. Toropov, Int. J. Mol. Sci. 2, 57-65 (2001)
7. D. Marino, P. Peruzzo, E. A. Castro, A. A. Toropov, Internet Elect. J. Molec. Des. 2, 334-347 (2003)
8. A. A. Toropov, P. Duchowicz, E. A. Castro, Int. J. Mol. Sci. 4, 272-283 (2003)
9. A. A. Toropov, E. Benfenati, J. Mol. Struct. (Theochem) 679, 225-228 (2004)
10. I. Raska, A. A. Toropov, Bioorg. Med. Chem. 13, 6830-6835 (2005)
11. A. A. Toropov, T. W. Schultz, J. Chem. Inf. Comput. Sci. 43, 560-567 (2003)
12. A. A. Toropov, I. V. Nesterov, O. M. Nabiev, J. Mol. Sci. (Theo-chem) 637, 37-42 (2003)
13. M. Randic, J. Comput. Chem. 12, 970-980 (1991)
14. M. Randic, Chemom. Intell. Lab. Syst. 10, 213-227 (1991)
15. M. Randic, J. Chem. Inf. Comput. Sci. 31, 311-320 (1991)
16. M. Randic, J. Chem. Inf. Comput. Sci. 32, 686-692 (1992)
17. E. Estrada, J. Chem. Inf. Comput. Sci. 35, 1022-1025 (1995)
18. D. Amic, D. Beslo, D. Lucic, S. Nikolic, N. Trinajstic, J. Chem. Inf. Comput. Sci. 38, 819-822 (1998)
19. M. Randic, S. C. Basak, J. Chem. Inf. Comput. Sci. 39, 261-266 (1999)
20. M. Randic, S. C. Basak, in Some Aspects in Mathematical Chemistry, ed. by D. K. Sinha, S. C. Basak, R. K. Mohanty, I. N. Basumallick (Visva-Bharati University Press, Santiniketan, 1999), p. 24
21. A. A. Toropov, A. P. Toropova, Russ. J. Coord. Chem. 24, 81-85 (1998)
22. A. A. Toropov, A. P. Toropova, N. L. Voropaeva, I. N. Ruban, S. Sh. Rashidova, Russ. J. Coord. Chem. 24, 525-529 (1998)
23. A. A. Toropov, N. L. Voropaeva, I. N. Ruban, S. Sh, Rashidova, Polym. Sci. Ser. A 41, 975-985 (1999)
24. P. J. Perruzo, D. J. G. Marino, E. A. Castro, A. A. Toropov, Internet Electron. J. Mol. Des. 2, 334-347 (2003)
25. M. Kompany Zareh, Y. Akhlaghi, J. Chemom. 20, 1-12 (2007)
26. M. Jalali Heravi, F. Parastar, J. Chem. Inf. Comp. Sci. 40, 147-154 (2000)
27. M. Pompe, M. Razinger, M. Novic, M. Veber, Anal. Chim. Acta 348, 215-221 (1997)
28. B. Walczak, B. Walczak, D. L. Massart, Anal. Chim. Acta 331, 177-185 (1996)
29. Y. Wang, B. Xiang, Anal. Chim. Acta 602, 55-65 (2008)
30. M. Maeder, Y. M. Neuhold, G. Puxty, Chemom. Intell. Lab. Syst. 70, 193-203 (2004)
31. K. Baumann, Trends Anal. Chem. 22, 395-406 (2003)
32. M. Jalali Heravi, A. Kyani, Eur. J. Med. Chem. 42, 649-659 (2007)
33. A. A. Toropov, A. P. Toropova, J. Mol. Struct. (Theochem) 538, 197-199 (2001)
34. G. Krenkel, E. A. Castro, A. A. Toropov, J. Mol. Struct. (Theo-chem) 542, 107-113 (2001)
35. B. G. M. Vandeginste, D. L. Massart, L. M. C. Buydestan, S. D. Jong, P. J. Lewi, J. S. Verbeke, in Hand Book of Chemo-metrics and Qualimetrics: Part B, chapter 44 (Elsevier, Amsterdam, 1998), pp. 649-699
36. D. B. Hibbert, Chemom. Intell. Lab. Syst. 19, 277-293 (1993)
37. C. B. Lucasius, G. Kateman, Chemom. Intell. Lab. Syst. 19, 1-33 (1993)