Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information

Regulatory Toxicology and Pharmacology

Volumn 79, Issue , 2016, Pages 12-24

  Shah, Imran ^a   Liu, Jie ^a,b   Judson, Richard S ^a   Thomas, Russell S ^a   Patlewicz, Grace ^a  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b University of Arkansas   (United States)

Author keywords

(Q)SAR; Bioactivity; KNN; Local validity domains; Nearest neighbors; Read across; ToxCast

Indexed keywords

2 PYRROLIDONE DERIVATIVE; ALKADIENE; CYCLODIENE; NITROBENZENE DERIVATIVE; PERFLUORO COMPOUND; PERFLUOROALKYL ACID; PERFLUORODECANOIC ACID; PERFLUOROHEPTANOIC ACID; PERFLUOROHEXANESULFONIC ACID; PERFLUOROHEXANOIC ACID; PERFLUORONONANOIC ACID; PERFLUOROOCTANESULFONIC ACID; PERFLUOROOCTANOIC ACID; PERFLUOROUNDECANOIC ACID; POTASSIUM PERFLUOROHEXANESULFONATE; UNCLASSIFIED DRUG; DRUG; POLLUTANT;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; DATA ANALYSIS; HAZARD ASSESSMENT; K NEAREST NEIGHBOR; PREDICTION; PRIORITY JOURNAL; READ ACROSS; RECEIVER OPERATING CHARACTERISTIC; TOXICITY; ALGORITHM; ANIMAL; ANIMAL TESTING ALTERNATIVE; AUTOMATED PATTERN RECOGNITION; BIOASSAY; CHEMISTRY; CLUSTER ANALYSIS; DATA MINING; EVALUATION STUDY; FACTUAL DATABASE; HUMAN; POLLUTANT; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY; RISK ASSESSMENT; TOXICITY TESTING;

ALGORITHMS; ANIMAL TESTING ALTERNATIVES; ANIMALS; BIOLOGICAL ASSAY; CLUSTER ANALYSIS; DATA MINING; DATABASES, FACTUAL; ENVIRONMENTAL POLLUTANTS; HUMANS; MOLECULAR STRUCTURE; PATTERN RECOGNITION, AUTOMATED; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; RISK ASSESSMENT; TOXICITY TESTS;

EID: 84966705178     PISSN: 02732300     EISSN: 10960295     Source Type: Journal    
DOI: 10.1016/j.yrtph.2016.05.008     Document Type: Article

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