An electrophilicity based analysis of toxicity of aromatic compounds towards Tetrahymena pyriformis

QSAR and Combinatorial Science

Volumn 25, Issue 2, 2006, Pages 114-122

  Roy, D R ^a   Parthasarathi, R ^b   Subramanian, V ^b   Chattaraj, P K ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

^b CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

DFT; Electrophilicity; QSAR QSTR; T. Pyriformis; Toxicity

Indexed keywords

AROMATIZATION; CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; DEGREES OF FREEDOM (MECHANICS); ELECTRONS; INDICATORS (CHEMICAL); MOLECULAR GRAPHICS; NITROBENZENE; PHENOLS; QUANTUM CHEMISTRY; REGRESSION ANALYSIS;

BENZONITRILES; DFT; ELECTROPHILICITIES; ELECTROPHILICITY INDEX; MODEL COMPOUND; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP/QSTR; T PYRIFORMIS; TETRAHYMENA PYRIFORMIS; TRAINING SETS;

TOXICITY;

AROMATIC COMPOUND; BENZONITRILE; NITROBENZENE DERIVATIVE; PHENOL DERIVATIVE;

ARTICLE; CHEMICAL CARCINOGENESIS; CYTOTOXICITY; DENSITY FUNCTIONAL THEORY; ECOTOXICITY; ELECTRON; ENERGY; GROWTH INHIBITION; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE TOXICITY RELATION; QUANTUM CHEMISTRY; REGRESSION ANALYSIS; STATISTICAL MODEL; TERATOGENICITY; TETRAHYMENA PYRIFORMIS; TOXICITY; TOXICITY TESTING;

TETRAHYMENA PYRIFORMIS;

EID: 33644609173     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200530146     Document Type: Article

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