QSAR modelling of aldehyde toxicity by means of optimisation of correlation weights of nearest neighbouring codes

Journal of Molecular Structure: THEOCHEM

Volumn 676, Issue 1-3, 2004, Pages 165-169

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

^a Group of Modeling   (Uzbekistan)

^b Lab Environ Pharmacol Toxicol   (Italy)

^c NONE   (Uzbekistan)

Author keywords

Aldehyde toxicity; Nearest neighbouring codes; Optimisation of correlation weights of local graph invariants; Quantitative structure activity relationship

Indexed keywords

ALDEHYDE; ALDEHYDE DERIVATIVE;

ARTICLE; CORRELATION ANALYSIS; DATA ANALYSIS; EVALUATION; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; TOXICITY; TOXICOKINETICS;

EID: 1942436729     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.01.023     Document Type: Article

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