Literature DB >> 18070392

Automatic generation of peak-shaped models.

Frank Alsmeyer1, Wolfgang Marquardt.   

Abstract

We describe how parametric spectral models for analytical applications can be generated by an automatic curve-fitting algorithm. The algorithm does not require initial choices of parameters or other human intervention, in contrast to established approaches that rely on deconvolution or derivative spectroscopy. This algorithm has been applied for quantitative analysis but can potentially be used in other applications that are based on parametric representations of peak-shaped models or could benefit from using such models, such as calibration transfer.

Entities:  

Year:  2004        PMID: 18070392     DOI: 10.1366/0003702041655421

Source DB:  PubMed          Journal:  Appl Spectrosc        ISSN: 0003-7028            Impact factor:   2.388


  3 in total

1.  Identification and quantification of metabolites in (1)H NMR spectra by Bayesian model selection.

Authors:  Cheng Zheng; Shucha Zhang; Susanne Ragg; Daniel Raftery; Olga Vitek
Journal:  Bioinformatics       Date:  2011-03-12       Impact factor: 6.937

2.  MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures.

Authors:  Dan Tulpan; Serge Léger; Luc Belliveau; Adrian Culf; Miroslava Cuperlović-Culf
Journal:  BMC Bioinformatics       Date:  2011-10-14       Impact factor: 3.169

3.  Artificial neural networks for quantitative online NMR spectroscopy.

Authors:  Simon Kern; Sascha Liehr; Lukas Wander; Martin Bornemann-Pfeiffer; Simon Müller; Michael Maiwald; Stefan Kowarik
Journal:  Anal Bioanal Chem       Date:  2020-05-09       Impact factor: 4.142

  3 in total

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