A framework for using structural, reactivity, metabolic and physicochemical similarity to evaluate the suitability of analogs for SAR-based toxicological assessments

Regulatory Toxicology and Pharmacology

Volumn 56, Issue 1, 2010, Pages 67-81

  Wu, Shengde ^a   Blackburn, Karen ^a   Amburgey, Jack ^a   Jaworska, Joanna ^a   Federle, Thomas ^a  

^a PROCTER AND GAMBLE COMPANY   (United States)

Author keywords

Bioactivation; Chemical analogs identification; Metabolic similarity; Reactive similarity; Structural similarity; Structure activity relationship (SAR); Toxicological assessments

Indexed keywords

BENZIDINE; CINNAMALDEHYDE; CINNAMIC ACID DERIVATIVE; EPIGALLOCATECHIN; EPIGALLOCATECHIN GALLATE; ESTER; ESTRAGOLE; LINALOOL; MELAMINE; MYRICETIN; QUERCETIN; TERPINEOL;

ARTICLE; BIOAVAILABILITY; BIOTRANSFORMATION; CARCINOGENICITY; CHEMICAL STRUCTURE; COVALENT BOND; CYTOTOXICITY; GENOTOXICITY; HYDROLYSIS; LIVER TOXICITY; MOLECULAR WEIGHT; NEUROTOXICITY; OXIDATION; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; RISK ASSESSMENT; SKIN PENETRATION; SKIN SENSITIZATION; SOLUBILITY; STRUCTURE ACTIVITY RELATION; TOXICITY TESTING;

DATABASES, FACTUAL; DECISION TREES; EVALUATION STUDIES AS TOPIC; EXPERT SYSTEMS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TOXICOLOGY;

EID: 75549092069     PISSN: 02732300     EISSN: 10960295     Source Type: Journal    
DOI: 10.1016/j.yrtph.2009.09.006     Document Type: Article

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