Assessing applicability domains of toxicological QSARs: Definition, confidence in predicted values, and the role of mechanisms of action

QSAR and Combinatorial Science

Volumn 26, Issue 2, 2007, Pages 238-254

  Schultz, Terry W ^a   Hewitt, Mark ^b   Netzeva, Tatiana I ^c   Cronin, Mark T D ^b  

^a UNIVERSITY OF TENNESSEE   (United States)

^b LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^c JOINT RESEARCH CENTRE   (Italy)

Author keywords

Applicability domain; Characterization; QSAR; Tetrahymena pyriformis; Toxicity

Indexed keywords

AROMATIC COMPOUNDS; COMPUTATIONAL CHEMISTRY; FORECASTING; HYDROPHOBICITY; MOLECULAR GRAPHICS;

APPLICABILITY DOMAIN; AQUATIC TOXICOLOGY; CHARACTERIZATION; ELECTROPHILICITIES; MECHANISM OF ACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; STRUCTURAL DOMAINS; TEST SETS; TETRAHYMENA PYRIFORMIS; TRAINING SETS;

TOXICITY;

AROMATIC COMPOUND; BENZENE DERIVATIVE;

ACUTE TOXICITY; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; HYDROPHOBICITY; NONHUMAN; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; PHYSICOCHEMICAL MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS; TOXICITY TESTING; TOXICOLOGICAL PARAMETERS;

TETRAHYMENA PYRIFORMIS;

EID: 34250687911     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200630020     Document Type: Article

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