Structure-toxicity relationships of nitroaromatic compounds

Molecular Diversity

Volumn 10, Issue 2, 2006, Pages 233-245

  Isayev, Olexandr ^a   Rasulev, Bakhtiyor ^a,b   Gorb, Leonid ^a   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b S Yu Yunusov Institute of the Chemistry of Plant Substances Uzbekistan Academy of Sciences   (Uzbekistan)

Author keywords

DFT; Electronic properties; Genetic algorithm; LD50; Nitroaromatic compounds; QSAR; Quantum chemical descriptors; Topological descriptors; Toxicity

Indexed keywords

AROMATIC NITRO COMPOUND; NITROBENZENE;

ALGORITHM; ANALYTIC METHOD; ARTICLE; COMPARATIVE STUDY; CORRELATION COEFFICIENT; ELECTRONICS; GEOMETRY; LD 50; MATHEMATICAL COMPUTING; MULTIPLE REGRESSION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY;

ANIMALS; HYDROCARBONS, AROMATIC; LETHAL DOSE 50; MODELS, CHEMICAL; NITROGEN COMPOUNDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; REGRESSION ANALYSIS;

EID: 33746217524     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-005-9002-4     Document Type: Article

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