Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers

AIChE Journal

Volumn 50, Issue 6, 2004, Pages 1315-1343

  Giralt, Francesc ^a   Espinosa, G ^a   Arenas, A ^a   Ferre Gine, J ^a   Amat, L ^b   Girones X ^b   Carbo Dorca R ^b   Cohen, Y ^c  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b UNIVERSITY OF GIRONA   (Spain)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Fuzzy ARTMAP neural classifier; Infinite dilution activity; QSPR; Self organizing maps

Indexed keywords

EXTRACTION; MOLECULAR ORIENTATION; QUANTUM THEORY; STRUCTURAL ANALYSIS; TOPOLOGY;

INFINITE DILUTION ACTIVITY COEFFICIENTS; MOLECULAR FEATURES;

ORGANIC COMPOUNDS;

ORGANIC COMPOUND; WATER;

DILUTION;

AQUEOUS SOLUTION; ARTICLE; CLUSTER ANALYSIS; DILUTION; DIPOLE; EXTRACTION; HYDROGEN BOND; MATHEMATICAL MODEL; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY;

EID: 2542602983     PISSN: 00011541     EISSN: None     Source Type: Journal    
DOI: 10.1002/aic.10116     Document Type: Article

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