Development of quantitative structure-metabolism (QSMR) relationships for substituted anilines based on computational chemistry

Xenobiotica

Volumn 43, Issue 9, 2013, Pages 792-802

  Athersuch, Toby J ^a,b   Wilson, Ian D ^a   Keun, Hector C ^a,b   Lindon, John C ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b Faculty of Medicine and MRC Health Protection Agency   (United Kingdom)

Author keywords

Chemometric modelling; Computational chemistry; Metabolism; Structure metabolism relationships; Substituted anilines

Indexed keywords

ANILINE;

ACETYLATION; ARTICLE; CHEMICAL STRUCTURE; METABOLISM; PATTERN RECOGNITION; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE METABOLISM RELATIONSHIP;

ACETYLATION; ANILINE COMPOUNDS; COMPUTER SIMULATION; MODELS, CHEMICAL; MOLECULAR STRUCTURE; MULTIVARIATE ANALYSIS;

EID: 84880979312     PISSN: 00498254     EISSN: 13665928     Source Type: Journal    
DOI: 10.3109/00498254.2013.767953     Document Type: Article

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