Parametrization of electrophilicity for the prediction of the toxicity of aromatic compounds

Chemical Research in Toxicology

Volumn 14, Issue 11, 2001, Pages 1498-1505

  Cronin, M T D ^a   Manga, N ^a   Seward, J R ^b   Sinks, G D ^b   Schultz, T W ^b  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANILINE DERIVATIVE; AROMATIC COMPOUND; NITRILE; NITRO DERIVATIVE; NITROPHENOL;

ARTICLE; HYDROPHOBICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS; TOXICITY TESTING;

ANILINE COMPOUNDS; ANIMALS; ELECTROCHEMISTRY; FORECASTING; HYDROCARBONS, AROMATIC; NITROPHENOLS; ORGANIC CHEMICALS; POPULATION DYNAMICS; REFERENCE VALUES; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYMENA; TOXICITY TESTS;

TETRAHYMENA PYRIFORMIS;

EID: 0035184436     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx015502k     Document Type: Article

References (25)

1. Response surface-based analyses of nitrobenzene toxicity to Tetrahymena pyriformis
2. Structure-toxicity relationships for benzenes evaluated with Tetrahymena pyriformis
3. Response-surface analyses: A comparison of two approaches to predicting acute toxicity
4. The electronic factor in QSAR: MO-parameters, competing interactions, reactivity, and toxicity
5. Interspecies modeling of narcotics toxicity to aquatic animals
6. TETRATOX: The Tetrahymena pyriformis population growth impairment endpoint - A surrogate for fish lethality
7. SMILES, a chemical language and information system: 1. Introduction to methodology and encoding rules
8. Strategic approaches to drug design. I. An integrated software framework for molecular modeling
9. COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems
10. Quantum-chemical descriptors for estimating the acute toxicity of substituted benzenes to the guppy (Poecilia reticulata) and the fathead minnow (Pimephales promelas)
11. Quantitative structure - Activity study of the toxicity of benzonitriles to the ciliate Tetrahymena pyriformis
12. QSAR study of the toxicity of nitrobenzenes to Tetrahymena pyriformis
13. Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines - An examination into extension of surface-response domains
14. QSARs for monosubstituted anilines eliting the polar narcosis mechanism of action
15. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity
16. CoMFA study of acute toxicity of nitrobenzenes to Tetrahymena pyriformis
17. Quantum-chemical descriptors in QSAR/QSPR studies
18. The utility of computed superdelocalizability for predicting the LC50 values of epoxides to the guppy
19. A QSAR approach for estimating the aquatic toxicity of soft electrophiles (QSAR for soft electrophiles)
20. Quantitative structure - Activity relationships for weak acid respiratory uncouplers to Vibrio fisheri
21. NAr electrophiles
22. QSAR analyses of the toxicity of selected nitrobenzenes and halogenated nitrogen heterocyclics to Tetrahymena pyriformis