FARKOVÁ, Marta, Přemysl LUBAL and Josef HAVEL. Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic "soft" modelling. Chemical Papers. Bratislava: Slovak Academic Press, 2004, vol. 58, No 5, p. 299-305. ISSN 0366-6352. |
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@article{566691, author = {Farková, Marta and Lubal, Přemysl and Havel, Josef}, article_location = {Bratislava}, article_number = {5}, keywords = {Debye-Hückel equation; equilibrium constants; artificial neural networks; genetic algorithm; partial least-squares}, language = {eng}, issn = {0366-6352}, journal = {Chemical Papers}, title = {Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic "soft" modelling}, volume = {58}, year = {2004} }
TY - JOUR ID - 566691 AU - Farková, Marta - Lubal, Přemysl - Havel, Josef PY - 2004 TI - Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic "soft" modelling JF - Chemical Papers VL - 58 IS - 5 SP - 299-305 EP - 299-305 PB - Slovak Academic Press SN - 03666352 KW - Debye-Hückel equation KW - equilibrium constants KW - artificial neural networks KW - genetic algorithm KW - partial least-squares N2 - Extrapolation of formation constants to zero ionic strength using "soft" modelling with partial least-squares, genetic algorithm, and artificial neural networks (ANN) methods was examined and results of individual approaches were compared. The methods allow a rapid and sufficiently accurate prediction of thermodynamic formation constants, ion-size parameters, and salting-out coefficients from experimental equilibrium data, among them the ANN method was found most reliable. ER -
FARKOVÁ, Marta, Přemysl LUBAL and Josef HAVEL. Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic ''soft'' modelling. \textit{Chemical Papers}. Bratislava: Slovak Academic Press, 2004, vol.~58, No~5, p.~299-305. ISSN~0366-6352.
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