QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors

Chemical Physics Letters

Volumn 461, Issue 4-6, 2008, Pages 343-347

  Toropov, A A ^a,b   Toropova, A P ^a,b   Benfenati, E ^b  

^a Institute of Geology and Geophysics   (Uzbekistan)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC COMPOUNDS; CHLORINE COMPOUNDS; ENTHALPY; MANAGEMENT SCIENCE; MATHEMATICAL MODELS; MONTE CARLO METHODS; ORGANIC COMPOUNDS; ORGANOMETALLICS; SULFUR COMPOUNDS;

CHEMICAL INFORMATION; DESCRIPTORS; ENTHALPIES OF FORMATION; GAS-PHASE ENTHALPY; MOLECULAR INPUT LINE ENTRY SYSTEM; OPTIMAL DESCRIPTORS; ORGANOMETALLIC COMPOUNDS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP; STATISTICAL CHARACTERISTICS;

THERMODYNAMICS;

EID: 48949091001     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.07.027     Document Type: Article

References (23)

1. Balakin K.V., Savchuk N.P., and Tetko I.V. Curr. Med. Chem. 13 (2006) 223
2. Tetko I.V., Tanchuk V.Yu., Kasheva T.N., and Villa A.E.P. J. Chem. Inf. Comput. Sci. 41 (2001) 246
3. Duchowicz P.R., Talevi A., Bellera C., Bruno-Blanch L.E., and Castro E.A. Bioorg. Med. Chem. 15 (2007) 3711
4. Torrens F., Sanchez-Mari{dotless}n J., and Nebot-Gil I. J. Chromatogr. A 827 (1998) 345
5. Leonard J.T., and Roy K. Eur. J. Med. Chem. 43 (2008) 81
6. Jover J., Bosque R., Simoes J.A.M., and Sales J. J. Organomet. Chem. 693 (2008) 1261
7. Toropov A.A., and Toropova A.P. Russ. J. Coord. Chem. 27 (2001) 574
8. Toropov A.A., and Toropova A.P. Russ. J. Coord. Chem. 28 (2002) 877
9. ACD/ChemSketch Freeware, version 11.00, Advanced Chemistry Development, Inc., Toronto, ON, Canada, 〈www.acdlabs.com〉, 2007.
10. Weininger D. J. Chem. Inf. Comput. Sci. 28 (1988) 31
11. Weininger D., Weininger A., and Weininger J.L. J. Chem. Inf. Comput. Sci. 29 (1989) 97
12. Weininger D. J. Chem. Inf. Comput. Sci. 30 (1990) 237
13. 〈http://www.daylight.com〉.
14. Vidal D., Thormann M., and Pons M. M. J. Chem. Inf. Model. 45 (2005) 386
15. Toropov A.A., Toropova A.P., Mukhamedzhanova D.V., and Gutman I. Indian J. Chem. Sec. A 44 (2005) 1545
16. Toropov A.A., and Benfenati E. Comput. Biol. Chem. 31 (2007) 57
17. Toropov A.A., and Benfenati E. Eur. J. Med. Chem. 42 (2007) 606
18. Zenkevich I.G., Moeder M., Koeller G., and Schrader S.J. Chromatogr. A 1025 (2004) 227
19. Toropov A.A., Rasulev B.F., Leszczynska D., and Leszczynski J. Chem. Phys. Lett. 444 (2007) 209
20. Toropov A.A., and Benfenati E. Bioorg. Med. Chem. 16 (2008) 4801
21. Toropov A.A., Rasulev B.F., Leszczynska D., and Leszczynski J. Chem. Phys. Lett. 457 (2008) 332
22. Golbraikh A., and Tropsha A. J. Mol. Graph. Model. 20 (2002) 269
23. Roy P.P., and Roy K. QSAR Comb. Sci. 27 (2008) 302