QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri based on correlation weighting of local graph invariants

Journal of Molecular Structure: THEOCHEM

Volumn 639, Issue 1-3, 2003, Pages 129-135

  Castro, Eduardo A ^a   Toropov, Andrey A ^b   Nesterova, Alexandra I ^b   Nazarov, Azizbek U ^b  

^a INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

^b S YU YUNUSOV INSTITUTE OF THE CHEMISTRY OF PLANT SUBSTANCES   (Uzbekistan)

Author keywords

Acute toxicity; Graph of atomic orbitals; Optimization of correlation weights of local graph invariants; Quantitative structure activity relationship; Tetrahymena pyriformis

Indexed keywords

1 CHLORO 2 PROPANOL; 1,3 DICHLORO 2 PROPANOL; 2 BUTANONE; 2 CHLOROETHANOL; 3 BROMO 2,2, DIMETHYL 1 PROPANOL; 3 CHLORO 1,2 PROPANDIOL; 3 CHLOROPROPIONITRILE; 4 CHLORO 1 BUTANOL; 4 CHLOROBUTYRONITRILE; 6 CHLORO 1 HEXANOL; ACETONE; ACETONITRILE DERIVATIVE; ACETONYLACETONE; ALCOHOL DERIVATIVE; BROMETHOL; BROMINE DERIVATIVE; BUTANOL; BUTYRALDEHYDE; BUTYRONITRILE; CHLORINE DERIVATIVE; CHLOROACETONITRILE; CROTONALDEHYDE; DIBROMOACETONITRILE; HEXANOL; HYDROCARBON; PROPANEDIOL DERIVATIVE; PROPANOL; PROPIONITRILE; TRICHLOROETHANOL; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; NONHUMAN; PHOTOBACTERIUM FISCHERI; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS; STATISTICAL MODEL; TETRAHYMENA PYRIFORMIS; TOXICITY TESTING; VALIDATION PROCESS;

EID: 0345602132     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.056     Document Type: Article

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