Quantitative structure-activity relationship studies of selected heterocyclic nitrogen compounds

Bulletin of Environmental Contamination and Toxicology

Volumn 58, Issue 3, 1997, Pages 372-379

  Chen, J ^a   Wang, L ^a   Lu, G ^a   Zhao, T ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

HETEROCYCLIC COMPOUND; NITROGEN DERIVATIVE; OCTANOL;

ARTICLE; ECOTOXICOLOGY; MOLECULAR MODEL; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANALYSIS OF VARIANCE; HETEROCYCLIC COMPOUNDS; LETHAL DOSE 50; MODELS, MOLECULAR; REGRESSION ANALYSIS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0031016928     PISSN: 00074861     EISSN: None     Source Type: Journal    
DOI: 10.1007/s001289900344     Document Type: Article

References (19)

1. Blum DJW, Speece RE (1990) Determining chemical toxicity to aquatic species. Environ Sci Technol 24:284-293
2. Chen JW, Liao YY, Zhao YH, Wang LS, Lu GY, Zhao TN(1996a) Quantitative structure-activity relationships and mixture toxicity studies of heterocyclic nitrogen compounds. Bull Environ Contam Toxicol 57: 57:77-83
3. Chen JW, Feng L, Liao YY, Han SK, Wang LS(1996b) Using AM1 hamiltonian in quantitative structure-properties relationship studies of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates. Chemosphere, 33: 537-546
4. Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP(1985) AM1 A new general purpose quantum mechanical molecular model. J Am Chem Soc 107: 3902-3909
5. Famini GR, Penski CA, Wilson LY(1992) Using theoretical descriptors in quantitative structure - activity relationships: some physicochemical properties. Journal of Physical Organic Chemistry 5:395-408
6. Hansch C, Fujita T(1964) ρ - σ - π Analysis. A method for the correlation of biological activity and chemical structure. J Am Chem Soc 86:1616-1626
7. Kamlet MJ, Doherty RM, Abboud JLM, Abraham MH, Taft RW(1986) Solubility - a new look. CHEMTECH 16:566-576
8. Kamlet MJ, Doherty RM, Taft RW, Abraham MH, Veith GD, Abraham DJ(1987) Solubility properties hi polymers and biological media. 8. An analysis of the factors that influence toxicities of organic nonelectrolytes to the golden orfe fish(Leuciscus idus melanotus). Environ Sci Technol 21:149-155
9. Könemann H (1981) Quantitative structure-activity relationships in fish toxicity studies Part 1: relationship for 50 industrial pollutants. Toxicology 19:209-221
10. Lewis DFV(1989) The calculation of molar polarizabilities by the CNDO/2 method: correlation with the hydrophobic parameter, logP. Journal of Computational Chemistry, 10:145-151
11. Mekenyan OG, Ankley GT, Veith GD, Call DJ(1994) QSARs for photoinduced toxicity: 1. Acute lethality of polycyclic hydrocarbons to Daphnia magna. Chemosphere 28: 567-582
12. Nevalainen T, Kolehaminen E (1994) New QSAR models for polyhalogenated aromatics. Environ Toxicol Chem 13: 1699-1706
13. Schultz TW, Wyatt NL, Lin DT(1990) Structure-activity relationships for nonpolar narcotics: A comparison of data from the Tetrahymena, Photobacterium and Pimephales system. Bull Environ Contam Toxicol 44:67-72
14. Schultz TW, Bryant SE, Lin DT (1994) Structure-toxicity relationships for Tetrahymena: aliphatic aldehydes. Bull Environ Contam Toxicol 52:279-285
15. Veith GD, Call DJ Brooke LT (1983) Structure-toxicity relationships for the fathead minnow, Pimephales promelas: Narcotic industrial chemicals. Canad J Fish Aquatic Sci 40: 743-748
16. Verhaar HJM, Leeuwen CJV, Hermens JLM (1992) Classifying environmental pollutants. 1: Structure-activity relationships for prediction of aquatic toxicity. Chemosphere 25: 471-491
17. Wilson LY, Famini GR(1991) Using theoretical descriptors in quantitative-activity relationships: some toxicological indices. J Med Chem 34:1668-1674
18. Xu L, Ball SL, Dixon, Jurs PC(1994) Quantitative structure-activity relationships for toxicity of phenols using regression analysis and computational neural networks. Environ Toxicol Chem 13:841-851
19. Zhao YH, Wang LS, Gao H, Zhang Z(1993) Quantitative structure - activity relationships - Relationship between toxicity of organic chemicals to fish and to Photobacterium Phosphoreum. Chemosphere 26:1971-1979