Duplicate detection of 2D-NMR Spectra
نویسندگان
چکیده
منابع مشابه
Duplicate detection of 2D-NMR Spectra
2D-Nuclear magnetic resonance (NMR) spectra are used in the (structural) analysis of small molecules. In contrast to 1D-NMR spectra, 2D-NMR spectra correlate the chemical shifts of 1H and 13C at the same time. A spectrum consists of several peaks in a twodimensional space. The most important information of a peak is the location of its center, which captures the bonding relationships of hydroge...
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2D-Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical method to elucidate the chemical structure of molecules. In contrast to 1D-NMR spectra, 2D-NMR spectra correlate the chemical shifts of H and C simultaneously. To curate or merge large spectra libraries a robust (and fast) duplicate detection is needed. We propose a definition of duplicates with the desired robustness pro...
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ژورنال
عنوان ژورنال: Journal of Integrative Bioinformatics
سال: 2007
ISSN: 1613-4516
DOI: 10.1515/jib-2007-53