Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework to Improve the Prediction of Severe Irritation

Chemical Research in Toxicology

Volumn 29, Issue 5, 2016, Pages 810-822

  Bhhatarai, Barun ^a   Wilson, Daniel M ^a   Parks, Amanda K ^a   Carney, Edward W ^a   Spencer, Pamela J ^a  

^a DOW CHEMICAL COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IRRITANT AGENT; SCHIFF BASE;

ACYLATION; ARTICLE; CHEMICAL REACTION KINETICS; COMPUTER MODEL; DISEASE SEVERITY; ELECTROPHILICITY; EXPERT SYSTEM; EYE IRRITATION; EYE TOXICITY; HYDROPHOBICITY; IN VITRO STUDY; KNOWLEDGE BASE; PHYSICAL CHEMISTRY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ANIMAL; COMPUTER SIMULATION; DRUG EFFECTS; EYE; HUMAN; THEORETICAL MODEL;

ANIMALS; COMPUTER SIMULATION; EYE; HUMANS; IRRITANTS; MODELS, THEORETICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84969766543     PISSN: 0893228X     EISSN: 15205010     Source Type: Journal    
DOI: 10.1021/acs.chemrestox.5b00531     Document Type: Article

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