A rapid procedure for spectral similarity matching of heteronuclear single quantum coherence spectra

Yang, Zhengyi, Vegh, Viktor, Reutens, David C. and Pierens, Gregory K. (2011). A rapid procedure for spectral similarity matching of heteronuclear single quantum coherence spectra. In: , 2011 International Conference on Digital Image Computing Techniques and Applications (DICTA). 2011 International Conference on Digital Image Computing Techniques and Applications (DICTA), Noosa, QLD, Australia, (302-307). 6-8 December 2011.

Attached Files (Some files may be inaccessible until you login with your UQ eSpace credentials)
Name Description MIMEType Size Downloads

Author Yang, Zhengyi
Vegh, Viktor
Reutens, David C.
Pierens, Gregory K.
Title of paper A rapid procedure for spectral similarity matching of heteronuclear single quantum coherence spectra
Conference Paper Type Fully Published Paper
Conference name 2011 International Conference on Digital Image Computing Techniques and Applications (DICTA)    (ERA 2010 Rank B)
DOI 10.1109/DICTA.2011.57
Conference location Noosa, QLD, Australia
Conference dates 6-8 December 2011
Proceedings title 2011 International Conference on Digital Image Computing Techniques and Applications (DICTA)
Place published Piscataway, NJ, United States
Publisher IEEE
Publication date 2011
ISBN 9781457720062
Start page 302
End page 307
Total pages 6
Collection year 2012
Language eng
Formatted Abstract/Summary A new peak-based quantitative spectra matching method using affinity matrix spectral analysis is proposed. An affinity matrix is generated to  describe similarity between 2D HSQC peaks given their spatial location. Application of the approach gives bestmatched peaks of two different spectra with the same or different number of peaks. Results were validated against a previously published method. The new algorithm was found to be an order of magnitude faster in finding matched peaks, in comparison to our previously reported technique. This speed-up allows large number  of peaks to be matched quickly, meaning that structures of high complexity can be compared across large structure databases. Matching examples are provided for 15N HSQC spectra of protein samples, which we use to establish performance.
Keyword Spectral matching
HSQC
Spectral analysis
Affinity matrix
Q-Index Code E1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Conference Paper
Sub-type: Fully Published Paper
Collections: Official 2012 Collection
Centre for Advanced Imaging Publications
 
Versions
Version Filter Type
Citation counts: Scopus Citation Count Cited 0 times in Scopus Article
Google Scholar Search Google Scholar
Access Statistics: 41 Abstract Views, 1 File Downloads  -  Detailed Statistics
Created: Thu, 19 Jan 2012, 11:52:23 EST by Sandrine Ducrot on behalf of Centre for Advanced Imaging