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Can I read Similarity search for a 1H-NMR spectroscopic data base on EtoBox?
Similarity search for a 1H-NMR spectroscopic data base by Margit Farkas; János Bendl; Dieter H. Welti; Ernö Pretsch; Stephan Dütsch; Pius Portmann; Martin Zürcher; Jean-Thomas Clerc is a Chemistry article available to read on EtoBox.
What is Similarity search for a 1H-NMR spectroscopic data base about?
A similarity-search system is described for proton-NMR spectroscopy. In order to achieve fast retrieval of reference compounds, the 'H-NMR spectra of the data base and of the unknown are encoded in a bitsring. The individual bits of the binary signature describe different features of the spectra. Part of the coupling information is coded in such a way that effects of magnetic field strength are taken into account. The encoding thus permitsa fast search for identical and structurally similar reference compounds in the data base even when the spectra were recorded at different magnetic field strengths. Because the search consists of weighted comparison of bits, each of them describing different spectral features, a choice of different kinds of searches is possible with the same signature by selecting appropriate weight vectors. Thus specific spectroscopic features can be selected for the search. Such a context-sensitive similarity-search system allows, for example, a search for compounds having similar multiplicities or similar subspectra in a given (e.g., aromatic) region of the spectrum. Furthermore, by adjusting two "software knobs" which influence the normalization of the search
Who reads Similarity search for a 1H-NMR spectroscopic data base?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Margit Farkas; János Bendl; Dieter H. Welti; Ernö Pretsch; Stephan Dütsch; Pius Portmann; Martin Zürcher; Jean-Thomas Clerc
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0003-2670)
- Published
- 1988
- Language
- EN
- Field
- Chemistry (Physical Sciences)