Comparative QSTR study using semi-empirical and first principle methods based descriptors for acute toxicity of diverse organic compounds to the fathead minnow

International Journal of Molecular Sciences

Volumn 8, Issue 12, 2007, Pages 1265-1283

  Eroglu, Erol ^a   Palaz, Selami ^a   Oltulu, Oral ^a   Turkmen, Hasan ^a   Ozaydin, Cihat ^a  

^a HARRAN UNIVERSITY   (Turkey)

Author keywords

Acute toxicity; AM1; Comparative QSTR; DFT; Fathead minnow; HF; PM3

Indexed keywords

2 BUTANONE; 2 PROPANOL; ACETIC ACID; ACETONE; ACETOPHENONE; ACETYLACETONE; ACRYLIC ACID; ADIPIC ACID; BENZENE; BUTANOL; CYCLOHEXANONE; DIISOPROPYL ETHER; DIPHENYL ETHER; ETHANE; FORMAMIDE; FURAN; METHANOL; ORGANIC COMPOUND; OXIME; PHENOL; PROPANE; PROPYLENE GLYCOL; TETRAHYDROFURAN; TRICHLOROETHYLENE;

ACUTE TOXICITY; ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; FISH; MATHEMATICAL MODEL; NONHUMAN; PIMEPHALES PROMELAS; QUANTUM MECHANICS; TOXICITY TESTING;

PIMEPHALES PROMELAS;

EID: 38149091578     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms8121265     Document Type: Article

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