Definition of the applicability domains of knowledge-based predictive toxicology expert systems by using a structural fragment-based approach

Alternatives to Laboratory Animals

Volumn 37, Issue 5, 2009, Pages 533-545

  Ellison, Claire M ^a   Enoch, Steven J ^a   Cronin, Mark T D ^a   Madden, Judith C ^a   Judson, Philip ^b  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^b LHASA LIMITED   (United Kingdom)

Author keywords

(Q)SAR systems; Applicability domain; Chemical fragments; Derek for windows; Expert systems; Structural alerts

Indexed keywords

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; COMPUTER MODEL; COMPUTER SYSTEM; FRAGMENTATION REACTION; KNOWLEDGE BASE; PREDICTIVE VALIDITY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SKIN SENSITIZATION; TOXICOKINETICS; ANIMAL TESTING ALTERNATIVE; CHEMICAL MODEL; EXPERT SYSTEM; HUMAN; METHODOLOGY; TOXICITY TESTING; TOXICOLOGY;

ANIMAL TESTING ALTERNATIVES; EXPERT SYSTEMS; HUMANS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SKIN IRRITANCY TESTS; TOXICITY TESTS; TOXICOLOGY;

EID: 77949903711     PISSN: 02611929     EISSN: None     Source Type: Journal    
DOI: 10.1177/026119290903700510     Document Type: Article

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