Integration of QSAR models for bioconcentration suitable for REACH

Science of the Total Environment

Volumn 456-457, Issue , 2013, Pages 325-332

  Gissi, Andrea ^a,b   Nicolotti, Orazio ^b   Carotti, Angelo ^b   Gadaleta, Domenico ^b   Lombardo, Anna ^a   Benfenati, Emilio ^a  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b UNIVERSITY OF BARI   (Italy)

Author keywords

Applicability domain; Bioconcentration factor; QSAR; REACH

Indexed keywords

APPLICABILITY DOMAIN; BIO-CONCENTRATION FACTORS; BIOCONCENTRATION FACTOR; COEFFICIENT OF DETERMINATION; QSAR; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; REACH; RMSE (ROOT MEAN SQUARE ERROR);

FORECASTING; MEAN SQUARE ERROR; MOLECULAR GRAPHICS;

COMPUTATIONAL CHEMISTRY;

BIOACCUMULATION; DATA SET; INTEGRATED APPROACH; NUMERICAL MODEL; PREDICTION; QUANTITATIVE ANALYSIS; THRESHOLD;

ACCURACY; ANIMAL EXPERIMENT; APPLICABILITY DOMAIN INDEX; ARTICLE; BIOACCUMULATION; CALIBRATION; COMPUTER PROGRAM; CONTROLLED STUDY; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MATHEMATICAL PARAMETERS; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; ROOT MEAN SQUARE ERROR; SENSITIVITY ANALYSIS; STATISTICAL ANALYSIS; UNCERTAINTY;

ALGORITHMS; ANIMAL TESTING ALTERNATIVES; HAZARDOUS SUBSTANCES; MODELS, BIOLOGICAL; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; TOXICITY TESTS;

ANIMALIA;

EID: 84876972436     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2013.03.104     Document Type: Article

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