QSAR modelling of aldehyde toxicity against a protozoan, Tetrahymena pyriformis by optimization of correlation weights of nearest neighboring codes

Journal of Molecular Structure: THEOCHEM

Volumn 679, Issue 3, 2004, Pages 225-228

  Toropov, A A ^a,c   Benfenati, E ^b  

^a Res Institute Algorithm Engineering   (Uzbekistan)

^b Lab Environ Pharmacol Toxicol   (Italy)

^c Algorith Eng Grp Modeling 700085   (Uzbekistan)

Author keywords

Aldehydes toxicity; Nearest neighboring codes; Optimization of correlation weights of local invariants in labeled hydrogen filled graphs; QSAR

Indexed keywords

2 ETHYLBUTYRALDEHYDE; 2 HEXENAL; 2 METHYL 2 BUTENAL; 2 METHYL 2 PENTENAL; 2 METHYLBUTYRALDEHYDE; 2 METHYLVALERALDEHYDE; 2 PENTANAL; 2 PROPENAL; 2,4 DIMETHYL 2,6 HEPTADIENAL; 2,4 HEXADIENAL; 2,4 NONADIENAL; 3 METHYL 2 BUTENAL; 3,3 DIMETHYLBUTYRALDEHYDE; 4 DECEN 1 AL; 7 DECEN 1 AL; ALDEHYDE DERIVATIVE; BUTYRALDEHYDE; CROTONALDEHYDE; DECYLALDEHYDE; DODECYLIC ALDEHYDE; HEPTYL ALDEHYDE; HEXYLALDEHYDE; ISOBUTYRALDEHYDE; ISOVALERALDEHYDE; NONYLALDEHYDE; OCTYLALDEHYDE; PENTANAL; PROPIONALDEHYDE; UNCLASSIFIED DRUG; UNDECYLIC ALDEHYDE; UNINDEXED DRUG;

ARTICLE; CORRELATION ANALYSIS; MATHEMATICAL COMPUTING; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS;

EID: 3042640297     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.020     Document Type: Article

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