A QSAR model for predicting mutagenicity of nitronaphthalenes and methylnitronaphthalenes

Bulletin of Environmental Contamination and Toxicology

Volumn 81, Issue 5, 2008, Pages 498-502

  Zhang, Zheyun ^a   Niu, Junfeng ^a   Zhi, Xin ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

Methylnitronaphthalenes; Mutagenicity; Nitronaphthalenes; QSARs

Indexed keywords

ENERGY VALUES; HEAT OF FORMATION; HIGHEST-OCCUPIED MOLECULAR ORBITAL; LOWEST UN-OCCUPIED MOLECULAR ORBITAL; METHYLNITRONAPHTHALENES; MOLECULAR ORBITAL ENERGIES; MUTAGENICITY; NITRONAPHTHALENES; PREDICTIVE CAPABILITIES; QSAR MODELING; QSARS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM CHEMICAL DESCRIPTORS; REGRESSION COEFFICIENTS;

DYES; ELECTRON ENERGY LEVELS; FOOD PROCESSING; FORECASTING; MOLECULAR GRAPHICS; MOLECULAR MODELING; MOLECULAR ORBITALS; SULFUR COMPOUNDS; THERMOCHEMISTRY;

MOLECULES;

1 METHYL 2 NITRONAPHTHAL; 1 METHYL 3 NITRONAPHTHAL; 1 METHYL 4 NITRONAPHTHAL; 1 METHYL 5 NITRONAPHTHAL; 1 METHYL 6 NITRONAPHTHAL; 1 METHYL 7 NITRONAPHTHAL; 1 METHYL 8 NITRONAPHTHAL; 1 NITRONAPHTHALENE; 2 METHYL 1 NITRONAPHTHAL; 2 METHYL 3 NITRONAPHTHAL; 2 METHYL 4 NITRONAPHTHAL; 2 METHYL 5 NITRONAPHTHAL; 2 METHYL 6 NITRONAPHTHAL; 2 METHYL 7 NITRONAPHTHAL; 2 METHYL 8 NITRONAPHTHAL; 2 NITRONAPHTHALENE; NAPHTHALENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; ENERGY; HEAT; MOLECULAR DYNAMICS; MUTAGENICITY; PREDICTOR VARIABLE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; REGRESSION ANALYSIS;

CHEMISTRY, PHYSICAL; FORECASTING; LINEAR MODELS; MODELS, STATISTICAL; MUTAGENICITY TESTS; MUTAGENS; NAPHTHALENES; NONLINEAR DYNAMICS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SALMONELLA;

EID: 52449086906     PISSN: 00074861     EISSN: 14320800     Source Type: Journal    
DOI: 10.1007/s00128-008-9540-4     Document Type: Article

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