Evaluation of Equilibria with Use of Artificial Neural Networks (ANN). II. ANN and Experimental Design as a Tool in Electrochemical Data Evaluation for Fully Dynamic (Labile) Metal Complexes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F01%3A00004475" target="_blank" >RIV/00216224:14310/01:00004475 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Evaluation of Equilibria with Use of Artificial Neural Networks (ANN). II. ANN and Experimental Design as a Tool in Electrochemical Data Evaluation for Fully Dynamic (Labile) Metal Complexes

Popis výsledku v původním jazyce

A use of artificial neural networks (ANN) and various experimental designs (ED) for refinement of experimental data obtained in a polarographic metal-ligand equilibrium study of fully dynamic (labile) metal complexes was thoroughly examined. ANN were tested on evenly and randomly distributed experimental error-free and error-corrupted data. It was found that randomly distributed experimental data did not influence the prediction power of ANN. Numerous tests demonstrated that ANN with appropriate ED canprovide accurate prediction in the stability constants with the absolute errors in the range of +- 0.05 log unit or smaller. ANNs were found exceptionally robust. Random experimental errors have not influence estimates in stability constants much even when errors in pH up to the value of +- 0.1 pH unit were introduced. A special procedure has been worked out that allows to minimise the influence of error-corrupted data even further; no significant difference was observed between results

Název v anglickém jazyce

Evaluation of Equilibria with Use of Artificial Neural Networks (ANN). II. ANN and Experimental Design as a Tool in Electrochemical Data Evaluation for Fully Dynamic (Labile) Metal Complexes

Popis výsledku anglicky

A use of artificial neural networks (ANN) and various experimental designs (ED) for refinement of experimental data obtained in a polarographic metal-ligand equilibrium study of fully dynamic (labile) metal complexes was thoroughly examined. ANN were tested on evenly and randomly distributed experimental error-free and error-corrupted data. It was found that randomly distributed experimental data did not influence the prediction power of ANN. Numerous tests demonstrated that ANN with appropriate ED canprovide accurate prediction in the stability constants with the absolute errors in the range of +- 0.05 log unit or smaller. ANNs were found exceptionally robust. Random experimental errors have not influence estimates in stability constants much even when errors in pH up to the value of +- 0.1 pH unit were introduced. A special procedure has been worked out that allows to minimise the influence of error-corrupted data even further; no significant difference was observed between results

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CG - Elektrochemie

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2001

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Electroanalysis

ISSN

1040-0397

e-ISSN

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Svazek periodika

13

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

14

Strana od-do

295

Kód UT WoS článku

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EID výsledku v databázi Scopus

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