Fingerprint comparison

The pragmatic beauty of the chemical fingerprint is that the more common features of two molecules that there are, the more common bits are set. The mathematic approach used to translate the fingerprint comparison data into a measure of similarity tunes the molecular comparison [5]. The Tanimoto similarity index works well when a relatively sparse fingerprint is used and when the molecules to be compared are broadly comparable in size and complexity [5]. If the nature of the molecules or the comparison desired is not adequately met by the Tanimoto index, multiple other indices are available to the researcher. For example, the Daylight software offers the user over ten similarity metrics, and the Pipeline Pilot as distributed offers at least three. Some of these metrics (e.g., Tversky, Cosine) offer better behavior if the query molecule is significantly smaller than the molecule compared to it. 

Finally, in a fingerprint comparison of spectra, or any other situation in which the shapes of peaks are... 

The XRD diffraction patterns of the shoe (suspect) and riverbank (control) soil samples closely match each other—a technique that can be likened to fingerprint comparisons (Figure 1.3). However, what is the significance of this close match If the two soil samples, for example, contain only one... 

Finally, in a fingerprint comparison of spectra, or any other situation in which the shapes of peaks are important, we should be aware of the substantial differences in the appearance of the spectrum in changing from a spectrum that is linear in wavenumber to one that is linear in wavelength (Figure 2.6). 

One most informative ionization fingerprint comparison is that of the iso(valence)elec-tronic molecules ethane and disilane (Figure 3). 

The addition of the contains function allows a quicker comparison of the fingerprint of the desired substructure with the fingerprints stored in the table. The matches function is then used only for structures which have passed this initial test. Since the matches function is slower than the contains function, the overall speed of the search is faster than if the fingerprint comparison were not done. 

In the most recent edition of Chromatography by Heftman (72), 11 references from the early 1970s are cited in which gel permeation chromatography (GPC) is used for either the examination of high-molecular-weight petroleum fractions or the identification of crude oils, etc., by fingerprint" comparison. ... 

Dunnington, A.E., Gal, O., Siegel, P.B. et al. (1991). Deoxyribonucleic acid fingerprint comparisons between selected populations of chickens. Poull Sci., 70, 463-7. 

Appropriate data handling is essential to the successful application of Py-GC techniques. This is particularly so when fingerprint comparisons are to be made using standard pyrograms to identify vmknown samples. In forensic applications, taxonomy or other areas of classification, where complex pyrograms are obtained, a detailed statistical analysis, using... 

In addition to empirical fingerprint comparisons, for which library data are available and which are more usual in taxonomic and forensic work, these reactions may be used to study various aspects of polymer structure and properties. 

Proposed for the fingerprint comparison of unknown samples with pyrograms held in a library... 

Figure 15.4 Fingerprint comparison for yeast TK, E. coli TK, and E. coli TKD469E.

Nicholls, A. and Kelley, B. (2013) Stability in molecular fingerprint comparison, in... 

Fingerprint comparison of pyrograms with standard py-rograms to identify major components of copoiymers or polymer blends... 

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