The use of carbon thirteen nuclear magnetic resonance spectra to predict dioxin and furan binding affinities to the aryl hydrocarbon receptor

Environmental Toxicology and Chemistry

Volumn 22, Issue 3, 2003, Pages 501-509

  Shade, Lindsay ^a   Beger, Richard D ^a   Wilkes, Jon G ^a  

^a NATIONAL CENTER FOR TOXICOLOGICAL RESEARCH   (United States)

Author keywords

Aryl hydrocarbon receptor; Data activity relationships; Nuclear magnetic; Polychlorodibenzofurans; Resonance Polychlorodibenzo p dioxins; Spectroscopic

Indexed keywords

DATA REDUCTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; TOXIC MATERIALS;

CROSS-VALIDATION ACCURACY;

AROMATIC COMPOUNDS;

AROMATIC HYDROCARBON RECEPTOR; DIBENZODIOXIN DERIVATIVE; DIOXIN; FURAN DERIVATIVE; POLYCHLORINATED DIBENZOFURAN;

PCDD; PCDF; SPECTROSCOPY;

ACCURACY; ARTICLE; BINDING AFFINITY; CARBON NUCLEAR MAGNETIC RESONANCE; CLASSIFICATION; EXPERIMENTAL MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION; SPECTROSCOPY; VALIDATION PROCESS;

BENZOFURANS; CARBON ISOTOPES; COMPUTER SIMULATION; ENVIRONMENTAL POLLUTANTS; FORECASTING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, BIOLOGICAL; RECEPTORS, ARYL HYDROCARBON; TETRACHLORODIBENZODIOXIN;

EID: 0037369292     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1897/1551-5028(2003)022<0501:TUOCTN>2.0.CO;2     Document Type: Article

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