An automated group contribution method in predicting aquatic toxicity: The diatomic fragment approach

Chemical Research in Toxicology

Volumn 18, Issue 4, 2005, Pages 740-746

  Casalegno, Mosé ^a   Benfenati, Emilio ^a   Sello, Guido ^b  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

1 BENZOYLACETONE; 1,4 DICYANOBUTANE; 2,5 DIMETHYLFURANE; 3 CHLORO 2 CHLOROMETHYL 1 PROPENE; 4,4' ISOPROPYLIDENEBIS(2,6 DICHLOROPHENOL); ACETONE; ACETOPHENONE DERIVATIVE; ACROLEIN; ALCOHOL; ALLYL ALCOHOL; ALPHA BROMO 2,5 DIMETHOXYACETOPHENONE; ALPHA,ALPHA' DICHLORO PARA XYLENE; CHLOROACETONITRILE; CYCLOHEXANONE; FLAVONE; FURAN DERIVATIVE; HEXANE; MALONONITRILE; ORGANIC COMPOUND; PARA XYLENE; PROPARGYL ALCOHOL; PROPYLENE; TERBUFOS; TETRAHYDROFURAN; UNCLASSIFIED DRUG; VANILLIN DERIVATIVE;

ANALYTIC METHOD; ARTICLE; ARTIFICIAL NEURAL NETWORK; AUTOMATION; BIRD; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; DIATOMIC FRAGMENT APPROACH; ENVIRONMENTAL PROTECTION; GROUP CONTRIBUTION METHOD; LC 50; LINEAR REGRESSION ANALYSIS; MODEL; PIMEPHALES PROMELAS; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; TOXICITY TESTING;

ANIMALS; CYPRINIDAE; LETHAL DOSE 50; NEURAL NETWORKS (COMPUTER); REGRESSION ANALYSIS; STRUCTURE-ACTIVITY RELATIONSHIP; TOXICITY TESTS;

EID: 17644428023     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx049665v     Document Type: Article

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