Comparative QSAR study of phenol derivatives with the help of density functional theory

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 24, 2005, Pages 6823-6829

  Pasha, F A ^a   Srivastava, H K ^b   Singh, P P ^b  

^a BAREILLY COLLEGE   (India)

^b MLK College   (India)

Author keywords

DFT; Phenol; QSAR; Semiempirical; Toxicity

Indexed keywords

2 BROMOPHENOL; 2 CHLORO 5 METHYLPHENOL; 2 CHLOROPHENOL; 2 ETHYLPHENOL; 2 FLUOROPHENOL; 2 HYDROXYBIPHENYL; 2 ISOPROPYLPHENOL; 2,3 XYLENOL; 2,4 XYLENOL; 2,5 DICHLOROPHENOL; 2,5 XYLENOL; 3 CHLORO 4 FLUOROPHENOL; 3 ETHYLPHENOL; 3 IODOPHENOL; 3 ISOPROPYLPHENOL; 3 TERT BUTYLPHENOL; 3,4 XYLENOL; 3,5 DICHLOROPHENOL; 3,5 XYLENOL; 4 BROMOPHENOL; 4 CHLORO ORTHO CRESOL; 4 CHLOROPHENOL; 4 IODOPHENOL; 4 ISOPROPYLPHENOL; 4 TERT BUTYLPHENOL; CHLOROCRESOL; CHLOROXYLENOL; PARA CRESOL; PHENOL DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; CALCULATION; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; DENSITY FUNCTIONAL THEORY; HARDNESS; MOLECULAR WEIGHT; NONHUMAN; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; TETRAHYMENA PYRIFORMIS; TOXICITY; VALIDATION PROCESS;

ANIMALS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHENOLS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYMENA PYRIFORMIS;

TETRAHYMENA PYRIFORMIS;

EID: 27644492286     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.07.064     Document Type: Article

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