About: Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic %22soft%22 modelling     Goto   Sponge   NotDistinct   Permalink

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  • 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.
  • 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. (en)
  • Byla vyzkoušena extrapolace konstant stability k nulové iontové síle s využitím "soft" modelování metodami PLS, genetických algoritmů a umělých neuronových sítí (ANN) a byly srovnány výsledky jednotlivých přístupů. Metody dovolují rychlou a dostatečně přesnou predikci termodynamických konstant stability, parametrů iontové velikosti a koeficientů vysolování z experimentálních rovnovážných dat. Jako nejspolehlivější se ukázala metoda ANN. (cs)
Title
  • Predikce rovnovážných konstant ve vodném roztoku. I. Extrapolace rovnovážných konstant k nulové iontové síle s využitím PLS, umělých neuronových sítí a genetického %22soft%22 modelování (cs)
  • Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic %22soft%22 modelling
  • Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic %22soft%22 modelling (en)
skos:prefLabel
  • Predikce rovnovážných konstant ve vodném roztoku. I. Extrapolace rovnovážných konstant k nulové iontové síle s využitím PLS, umělých neuronových sítí a genetického %22soft%22 modelování (cs)
  • Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic %22soft%22 modelling
  • Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic %22soft%22 modelling (en)
skos:notation
  • RIV/00216224:14310/04:00011991!RIV08-GA0-14310___
http://linked.open.../vavai/riv/strany
  • 299-305
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA203/02/1103)
http://linked.open...iv/cisloPeriodika
  • 5
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 581263
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/04:00011991
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Debye-Hückel equation; equilibrium constants; artificial neural networks; genetic algorithm; partial least-squares (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • SK - Slovenská republika
http://linked.open...ontrolniKodProRIV
  • [20B2ED5066DF]
http://linked.open...i/riv/nazevZdroje
  • Chemical Papers
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 58
http://linked.open...iv/tvurceVysledku
  • Havel, Josef
  • Lubal, Přemysl
  • Farková, Marta
issn
  • 0366-6352
number of pages
http://localhost/t...ganizacniJednotka
  • 14310
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