QSPR approach to predict nonadditive properties of mixtures. Application to bubble point temperatures of binary mixtures of liquids

Molecular Informatics

Volumn 31, Issue 6-7, 2012, Pages 491-502

  Oprisiu, I ^a,b   Varlamova, E ^c   Muratov, E ^c,d   Artemenko, A ^c   Marcou, G ^a   Polishchuk, P ^c   Kuz'Min, V ^c   Varnek, A ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b Processium   (France)

^c A V BOGATSKY PHYSICO CHEMICAL INSTITUTE   (Ukraine)

^d UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

Bubble point curve; Mixtures prediction; QSAR QSPR; Vapor liquid equilibrium

Indexed keywords

BINARY MIXTURES; COMPUTATIONAL CHEMISTRY; FORESTRY; MEAN SQUARE ERROR; SUPPORT VECTOR MACHINES;

ASSOCIATIVE NEURAL NETWORK; BUBBLE POINT CURVE; BUBBLE POINT TEMPERATURES; BUBBLE POINTS; DESCRIPTORS; MIXTURE PREDICTION; NON-ADDITIVE PROPERTIES; POINT CURVES; QSAR/QSPR; VAPOR + LIQUID EQUILIBRIA;

FORECASTING;

ARTICLE; ATOMIC PARTICLE; CHEMICAL ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION;

EID: 84862858909     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201200006     Document Type: Article

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