Three-dimensional quantitative structure activity relationship (3D-QSAR) analysis for in vitro toxicity of chlorophenols to HepG2 cells

Chemosphere

Volumn 60, Issue 6 SPEC. ISS., 2005, Pages 791-795

  Liu, Y ^a   Chen, J N ^a   Zhao, J S ^a   Yu, H X ^a   Wang, X D ^a   Jiang, J ^a   Jin, H J ^a   Zhang, J F ^a   Wang, L S ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

3D QSARs; Chlorophenols; CoMFA; CoMSIA; Reactive mechanism

Indexed keywords

ALCOHOLS; CONCENTRATION (PROCESS); ELECTRIC FIELD EFFECTS; ELECTROSTATICS; MATHEMATICAL MODELS; TOXICITY;

CHLOROPHENOLS; COMPARATIVE MOLECULAR FIELD ANALYSIS; MOLECULAR SIMILARITY; THREE-DIMENSIONAL QUANTITATIVE STRUCTURES;

MOLECULAR STRUCTURE;

2 CHLOROPHENOL; 2,3,4 TRICHLOROPHENOL; 2,3,5 TRICHLOROPHENOL; 2,3,5,6 TETRACHLOROPHENOL; 2,4 DICHLOROPHENOL; 2,4,6 TRICHLOROPHENOL; 2,6 DICHLOROPHENOL; 3,4 DICHLOROPHENOL; 4 CHLOROPHENOL; CHLOROPHENOL; PENTACHLOROPHENOL; PHENOL DERIVATIVE; UNCLASSIFIED DRUG;

CHLOROPHENOL;

CONFERENCE PAPER; CONTROLLED STUDY; CYTOTOXICITY; ELECTRIC FIELD; HUMAN; HUMAN CELL; HYDROPHOBICITY; LC 50; MODEL; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

EID: 20744447636     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2005.04.019     Document Type: Conference Paper

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