The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity

Chemosphere

Volumn 72, Issue 5, 2008, Pages 772-780

  Colombo, Andrea ^a,b   Benfenati, Emilio ^b   Karelson, Mati ^a   Maran, Uko ^a  

^a UNIVERSITY OF TARTU   (Estonia)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

Fathead minnow; Maximum bond order; Multi linear regression; QSAR; Toxicity prediction

Indexed keywords

CONCENTRATION (PROCESS); MATHEMATICAL MODELS; OPTIMIZATION; TOXICITY;

FATHEAD MINNOW; MAXIMUM BOND ORDER; MULTI-LINEAR REGRESSION; TOXICITY PREDICTION;

WATER ANALYSIS;

5,5 DIMETHYL 1,3 CYCLOHEXANEDIONE; AROMATIC COMPOUND; CARBOFURAN; INDUSTRIAL TOXIC SUBSTANCE; MENADIONE; METHENAMINE; SACCHARIN;

CONCENTRATION (PROCESS); MATHEMATICAL MODELS; OPTIMIZATION; TOXICITY; WATER ANALYSIS;

CHEMICAL POLLUTANT; CYPRINID; POLLUTION EFFECT; PREDICTION; TOXICITY;

ARTICLE; CORRELATION ANALYSIS; MOLECULAR STABILITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; WATER POLLUTION;

ALKENES; ALKYNES; ANIMALS; BENZENE DERIVATIVES; CHEMISTRY, PHYSICAL; CYPRINIDAE; ENVIRONMENTAL POLLUTANTS; HYDROCARBONS, AROMATIC; LETHAL DOSE 50; LINEAR MODELS; MODELS, STATISTICAL; NITRILES; PROPANOLS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS;

PIMEPHALES PROMELAS;

EID: 44149098225     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2008.03.016     Document Type: Article

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