QSPR model of Henry's law constant for a diverse set of organic chemicals based on genetic algorithm-radial basis function network approach

Chemosphere

Volumn 66, Issue 11, 2007, Pages 2067-2076

  Modarresi, Hassan ^a   Modarress, Hamid ^a   Dearden, John C ^b  

^a AMIRKABIR UNIVERSITY OF TECHNOLOGY   (Iran)

^b LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

Author keywords

Henry's law constant; Hydrogen bonding; Molecular descriptor; Multi linear regression; QSPR; Solvation free energy

Indexed keywords

ENVIRONMENTAL IMPACT; GENETIC ALGORITHMS; HYDROGEN BONDS; MATHEMATICAL MODELS; RADIAL BASIS FUNCTION NETWORKS; REGRESSION ANALYSIS; SOLVENTS;

HENRY'S LAW CONSTANT; MOLECULAR DESCRIPTOR; MULTI-LINEAR REGRESSION; SOLVATION FREE ENERGY;

ORGANIC COMPOUNDS;

ORGANIC COMPOUND; SOLVENT; WATER;

ENVIRONMENTAL IMPACT; GENETIC ALGORITHMS; HYDROGEN BONDS; MATHEMATICAL MODELS; ORGANIC COMPOUNDS; RADIAL BASIS FUNCTION NETWORKS; REGRESSION ANALYSIS; SOLVENTS;

CHEMICAL BONDING; ENVIRONMENTAL CONDITIONS; GENETIC ALGORITHM; NUMERICAL MODEL; ORGANIC COMPOUND; REGRESSION ANALYSIS; SOFTWARE;

ANALYTIC METHOD; ARTICLE; COMPUTER PROGRAM; GENETIC ALGORITHM; HYDROGEN BOND; METHODOLOGY; PARTITION COEFFICIENT; QUANTITATIVE STRUCTURE PROPERTY RELATION; REGRESSION ANALYSIS; SOLUTE;

EID: 33846096494     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2006.09.049     Document Type: Article

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