Quantum-chemical descriptors for estimating the acute toxicity of electrophiles to the bathed minnow (Pimephales promelas): An analysis based on molecular mechanisms

Quantitative Structure-Activity Relationships

Volumn 15, Issue 4, 1996, Pages 302-310

  Karabunarliev, Stoyan ^a,b   Mekenyan, Ovanes G ^b   Karcher, Walter ^a   Russom, Christine L ^c   Bradbury, Steven P ^c  

^a JOINT RESEARCH CENTRE   (Italy)

^b BURGAS FREE UNIVERSITY   (Bulgaria)

^c U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

Acute fish toxicity; Electrophiles; Mode of toxic action; Molecular mechanism; Quantum chemical descriptors; Substructural screens

Indexed keywords

ADDITION REACTIONS; AQUATIC ORGANISMS; BIOCHEMISTRY; CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; HYDROPHOBICITY; QUANTUM CHEMISTRY;

ACUTE FISH TOXICITY; ACUTE TOXICITY; DESCRIPTORS; ELECTROPHILES; MODE OF TOXIC ACTIONS; MOLECULAR MECHANISM; PIMEPHALES PROMELAS; QUANTUM CHEMICAL DESCRIPTORS; SUBSTRUCTURAL SCREEN; TRAINING SETS;

TOXICITY;

ALDEHYDE; FORMAMIDE DERIVATIVE; SCHIFF BASE; XENOBIOTIC AGENT;

ARTICLE; CHEMICAL REACTION; CONTROLLED STUDY; DRUG POTENCY; DRUG TOXICITY; HYDROPHOBICITY; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REACTION ANALYSIS;

EID: 0029790041     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.19960150405     Document Type: Article

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