3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

Ecotoxicology and Environmental Safety

Volumn 105, Issue 1, 2014, Pages 128-134

  Salahinejad, M ^a   Ghasemi, J B ^b  

^a NUCLEAR SCIENCE AND TECHNOLOGY RESEARCH INSTITUTE   (Iran)

^b K N TOOSI UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

3D QSAR; CoMFA; CoMSIA; Substituted benzenes; Toxicity; VolSurf

Indexed keywords

BENZALDEHYDE; BENZENE DERIVATIVE; BENZONITRILE DERIVATIVE; NITROBENZENE DERIVATIVE; PHENOL DERIVATIVE; UNCLASSIFIED DRUG;

BENZENE; BOOTSTRAPPING; CILIATE; MODEL VALIDATION; MOLECULAR ANALYSIS; THREE-DIMENSIONAL MODELING; TOXICITY TEST;

ARTICLE; BOOTSTRAPPING; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; CORRELATION COEFFICIENT; ENHANCED REPLACEMENT METHOD; ERROR; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; INTERMETHOD COMPARISON; LEAVE FOUR OUT; LEAVE ONE OUT; MULTIPLE LINEAR REGRESSION ANALYSIS; PREDICTION; PROGRESSIVE SCRAMBLING ANALYSIS; RELIABILITY; STATIC ELECTRICITY; STATISTICAL ANALYSIS; STATISTICAL MODEL; STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS; TOXICITY; VALIDATION PROCESS; VOLSURF TECHNIQUE;

CILIOPHORA; TETRAHYMENA PYRIFORMIS;

3D-QSAR; COMFA; COMSIA; SUBSTITUTED BENZENES; TOXICITY; VOLSURF;

BENZENE; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYMENA PYRIFORMIS;

EID: 84901399132     PISSN: 01476513     EISSN: 10902414     Source Type: Journal    
DOI: 10.1016/j.ecoenv.2013.11.019     Document Type: Article

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