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Estimation of diffusion coefficients from voltammetric signals by support vector and gaussian process regression.

Authors
  • Bogdan, Martin
  • Brugger, Dominik
  • Rosenstiel, Wolfgang
  • Speiser, Bernd
Type
Published Article
Journal
Journal of cheminformatics
Publication Date
Jan 01, 2014
Volume
6
Pages
30–30
Identifiers
DOI: 10.1186/1758-2946-6-30
PMID: 24987463
Source
Medline
Keywords
License
Unknown

Abstract

Estimated diffusion coefficients closely matched the values determined by the parameter fitting method, but reduced the required computational time considerably for one of the reaction mechanisms. The automated processing of voltammograms according to the regression algorithms yields better results than the conventional analysis of peak-related data.

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