Nuclear magnetic resonance (NMR) and quantitative structure-activity relationship (QSAR) studies on the transacylation reactivity of model 1β-O-acyl glucuronides. II: QSAR modelling of the reaction using both computational and experimental NMR parameters

Xenobiotica

Volumn 34, Issue 10, 2004, Pages 889-900

  Vanderhoeven, S J ^a   Troke, J ^a   Tranter, G E ^a   Wilson, I D ^b   Nicholson, J K ^a   Lindon, J C ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOIC ACID; GLUCURONIDE;

ANALYTIC METHOD; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; DRUG DEGRADATION; DRUG SYNTHESIS; ELECTRON TRANSPORT; NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REACTION ANALYSIS; STATISTICAL MODEL; SUBSTITUTION REACTION;

ACYLATION; BENZOIC ACID; COMPUTER SIMULATION; GLUCURONIDES; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TEMPERATURE;

EID: 10644294707     PISSN: 00498254     EISSN: None     Source Type: Journal    
DOI: 10.1080/00498250400005674     Document Type: Article

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