Prediction of air to liver partition coefficient for volatile organic compounds using QSAR approaches

European Journal of Medicinal Chemistry

Volumn 45, Issue 6, 2010, Pages 2182-2190

  Dashtbozorgi, Zahra ^a   Golmohammadi, Hassan ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b UNIVERSITY OF MAZANDARAN   (Iran)

Author keywords

Air to liver partition coefficient; Artificial neural network; Genetic algorithm; Partial least squares; Quantitative structure property activity

Indexed keywords

VOLATILE ORGANIC COMPOUND;

AIR; ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER PROGRAM; GENETIC ALGORITHM; LIVER; PARTIAL LEAST SQUARES REGRESSION; PARTITION COEFFICIENT; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; VALIDATION PROCESS;

AIR; LEAST-SQUARES ANALYSIS; LIVER; NEURAL NETWORKS (COMPUTER); ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; VOLATILIZATION;

EID: 77950859068     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.01.056     Document Type: Article

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