QSRR study of GC retention indices of essential-oil compounds by multiple linear regression with a genetic algorithm

Chromatographia

Volumn 67, Issue 11-12, 2008, Pages 917-922

  Riahi, Siavash ^a   Ganjali, Mohammad Reza ^a   Pourbasheer, Eslam ^a   Norouzi, Parviz ^a  

^a UNIVERSITY OF TEHRAN   (Iran)

Author keywords

Chemometrics; Essential oil components; Gas chromatography; Genetic algorithm (GA); Multiple linear regression (MLR); QSRR; Retention index

Indexed keywords

3 HEXEN 1 OL; ACETAL; ALPHA BERGAMOTENE; ALPHA CUBEBENE; BETA BISABOLENE; BETA CIS OCIMENE; BETA ELEMENE; BETA FARNESENE; BETA PHELLANDRENE; BETA PINENE; BETA TRANS OCIMENE; BORNYL ACETATE; BOURBONENE; CIS 3 HEXENYL ACETATE; ELIXENE; ESSENTIAL OIL; FLUORENE; HUMULENE; ISOLEDENE; LIMONENE; MEGASTIGMATRIENONE; MYRCENE; PARA CYMEN 8 OL; PINENE; TERPENOID; TERPINENE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VERBENOL; YLANGENE;

ARTICLE; BIDENS PILOSA; DRUG IDENTIFICATION; GAS CHROMATOGRAPHY; GENETIC ALGORITHM; MULTIPLE LINEAR REGRESSION ANALYSIS; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE RETENTION RELATIONSHIP; STRUCTURE ACTIVITY RELATION;

EID: 77955768303     PISSN: 00095893     EISSN: 16121112     Source Type: Journal    
DOI: 10.1365/s10337-008-0608-4     Document Type: Article

References (41)

1. Kusmenoglu S, Baser KHC, Ozek T (1995) J Essent Oil Res 7:441-445
2. Deba F, Xuan TD, Yasuda M, Tawata S (2008) Food Contr 19:346-352
3. Dimo T, Rakotonirina SV, Tan PV, Azay J, Dongo E, Cros G (2002) J Ethnopharmacol 83:183-191
4. Chiang YM, Chuang DY, Wang SY, Kuo YH, Tsai PW, Shyur LF (2004) J Ethnopharmacol 95:409-419
5. Rabe T, Staden JV (1997) J Ethnopharmacol 56:81-87
6. Yang HL, Chen SC, Chang NW, Chang JM, Lee ML, Tsai PC (2006) Food Chem Toxicol 44:1513-1521
7. Moosavi-Movahedi AA, Safarian S, Hakimelahi GH, Ataei G, Ajloo D, Panjehpour S, Riahi S, Mousavi MF, Mardanyan S, Soltani N, Khalafi-Nezhad A, Sharghi H, Moghadamnia H, Saboury AA (2004) Nucleos Nucleot Nucl Acid 23:613-624
8. Baczek T, Kaliszan R, Novotna K, Jandera P (2005) J Chromatogr A 1075:109-115
9. Put R, Xu QS, Massart DL, Vander Heyden Y (2004) J Chromatogr A 1055:11-19
10. Riahi S, Mousavi MF, Shamsipur M (2006) Talanta 69:736-740
11. Amboni RDMC, Junkes BS, Heinzen VEF, Yunes RA (2002) J Mol Struct (Theochem) 579:53-62
12. Zhou Y, Sun LL, Mei H, Li SZ (2006) Chromatographia 64:565-570
13. Mazza CB, Whitehead CE, Breneman CM, Cramer SM (2006) Chromatographia 64:565-570
14. Jakab A, Schubert G, Prodan M, Forgacs E (2002) Chromatographia 56:55-59
15. Ghosh P, Chawla B, Joshi PV, Jaffe SB (2006) Energy Fuels 20:609-619
16. Jalali-Heravi M, Fatemi MH (2001) J Chromatogr A 915:177-183
17. Garakani-Nejad Z, Karlovits M, Demuth W, Stimpfl T, Vycudilik W, Jalali-Heravi M, Varmuza K (2004) J Chromatogr A 1028:287-295
18. Acevedo-Martinez J, Escalona-Arranz JC, Villar-Rojas A, Tellez-Palmero F, Perez-Roses R, Gonzalez L, Carrasco- Velar R (2006) J Chromatogr A 1102:238-244
19. Tulasamma P, Reddy KS (2006) J Mol Graph Model 25:507-513
20. Heberger K, Kowalska T (1999) Chemometr Intell Lab Syst 47:205-217
21. Depczynski U, Frost VJ, Molt K (2000) Anal Chim Acta 420:217-227
22. Alsberg BK, Marchand-Geneste N, King RD (2000) Chemom Intell Lab Syst 54:75-91
23. Jouanrimbaud D, Massart DL, Leardi R, Denoord OE (1995) Anal Chem 67:4295-4301
24. Herrero A, Cruz OM (1999) Anal Chim Acta 378:245-259
25. Leardi R, Boggia R, Terrile M, (1992) J Chemom 6:267-281
26. Lucasius CB, Beckers MLM, Kateman G, (1994) Anal Chim Acta 286:135-153
27. Todeschini R, Consonni V, Pavana M (Online) available: http://www.disat. unimib.it/vhm/
28. Todeschini R, Consonni V (2000) Handbook of molecular descriptors. Wiley-VCH, Weinheim
29. Kier LB, Hall LH (1986) Molecular connectivity in structure-activity analysis. RSP-Wiley, Chichester, UK
30. Konstantinova EV (1997) J Chem Inf Comput Sci 36:54-57
31. Rucker G, Rucker C (1993) J Chem Inf Comput Sci 33:683-695
32. Galvez J, Garcia R, Salabert MT, Soler R (1994) J Chem Inf Comput Sci 34:520-525
33. Broto P, Moreau G, Vandicke C (1984) J Med Chem 19:66-70
34. Hunger J, Huttner G (1999) J Comput Chem 20:455-471
35. Ahmad S, Gromiha MM (2003) J Comput Chem 24:1313-1320
36. Waller CL, Bradley MP (1999) J Chem Inf Comput Sci 39:345-355
37. Aires-de-Sousa J, Hemmer MC, Gasteiger J (2002) Anal Chem 74:80-90
38. Miller JC, Miller JN (1993) Statistics for analytical chemistry. 3rd edn. Ellis Horwood, Chichester
39. Kier LB, Hall LH (1986) Molecular connectivity in structure-activity analysis. Research Studies Press, New York
40. Tham SY, Agatonovic-Kustrin S (2002) J Pharm Biomed Anal 28:581-590
41. Verloop A, Hoogenstraaten W, Tysker J (1976) Drug design, vol 7. Academic Press, New York