Fingerprint approach

A Godzik, A Kolinski, J Skolmck. Topology fingerprint approach to the inverse protein folding problem. J Mol Biol 227 227-238, 1992. 

Variations on the spectral peaks from different species of the same genus were also observed. Three species of Pseudomonas produced the spectra shown in Figure 14.2. These spectra are clearly unique and were used to correctly identify unknown samples. Because of peak ratio reproducibility issues in bacterial protein profiles obtained by MALDI MS,11 a fingerprint approach that had been used for other mass spectrometry approaches has not been used. The profile reproducibility problem was first recognized by Reilly et al.12,13 and later researched by others in the field.14,15 As a later alternative, a direct comparison of the mass-to-charge ratio (m/z) of the unknown mass spectral peaks with a database of known protein masses has been used to identify unknown samples.14... 

Ni Y. Liu Y. Kokot S. Two-dimensional fingerprinting approach for comparison of complex substances analysed by HPLC-UV and fluorescence detection. Analyst, 2011,136 (3), 550-559. 

The problem can be addressed by taking a more flexible set of fragments resulting in the hashed fingerprints approach [176, 177]. Instead of checking the occurrence of individual fragments, all atom paths up to a certain length (five or seven in practice) are enumerated. Since there are too many different paths to reserve a bit for each, a... 

C. Mello, E. Severi, L. Coelho, A. Marangoni, C. Dezuane, E. Ricci, D. Ribeiro and R.J. Poppi, Two-dimensional low resolution Raman spectroscopy applied to fast discrimination of microorganisms that cause pharyngitis a whole-organism fingerprinting approach, J. Mol. Struct, 883-884, 61-65 (2008). 

Our first, single fingerprint approach involves creating a single, combined fingerprint from the fingerprints of individual reference structures ... 

The capillary LC/MS-based approach for peptide mapping performed by Arnott and colleagues features miniaturized sampleloading procedures, which are routinely amenable to small quantities of peptides. The reliable characterization of protein/peptide mixtures in conjunction with the widely used 2-DGE methods offers a powerful fingerprinting approach in the pharmaceutical industry. Low femtomole detection limits (typically <50 femtomole) with a mass accuracy of +0.5Da provide unique advantages for protein identification. Liberal parameters for mass range and unmatched masses are used for the initial protein search, whereas more conservative parameters are used to reduce the number of matches and to improve the confidence in the search. 

UNITY pharmacophore, FlexXd docking, and structure interaction fingerprint approaches were used to identify compounds in the Maybridge database (59,275 compounds) as potential thymidine monophosphate kinase inhibitors... 

Finally, the field of metabolomics is still in its early stages of development. With advances in all the areas listed above (sample preparation, HPLC analysis, and MS analysis), the use of metabolomics to analyze metabolic pathways involving carotenoids may evolve from a simple targeted approach to a more sophisticated fingerprinting approach. 

A rapid computational method for lead evolution has been described by the CombiChem (now DeltaGen) group (39). Their 3D computational approach for lead evolution is based on a pharmacophore fingerprint approach using multiple pharmacophore hypotheses. A set or ensemble of is generated that is... 

In the 1990s the validity of this approach was demonstrated with numerous examples published in the literature and presented at international conferences. It now forms a routine part of any field development operation. A number of modifications have been introduced, such as those described by Halpern (1995). In the typical fingerprinting approach described above, the peaks are selected pretty much at random since their identity is not crucial as long as we know the same peaks are being utilized for each analyses. In the Halpern approach, peaks of known identity were selected and two sets of parameters developed. The first set consists of correlation... 

Efforts have been made over the past several years to identify airborne metals with specific emission sources by the use of enrichment factors, and by comparing the trace element profile of airborne particles with characteristic components in particulate matter from various sources. Measurements of particle size and the application of sophisticated statistical techniques should increase the accuracy of these "fingerprinting approaches. 

Stacey GN, Bolton BJ Doyle A (1991) DNA fingerprinting in the quality control of cell banks. In Burke T, Doh G, Jeffreys AJ Wolff R (eds) DNA Fingerprinting Approaches and Applications, Proceedings of the First International Conference on DNA Fingerprinting, pp. 361-370. Birckhauser, Berlin. 

Metabolic profding and metabolite fingerprinting approaches require a sensitive full scan mode and exact masses. Therefore, Q40F or Qrtrap-FT-ICR MS instruments are advantageous. In contrast, for targeted... 

This feature tree approach shows similar - and in some cases even improved - performance compared to a 2D fingerprint approach [103], Based on 3D protein-ligand complex structures, it was also shown that the mapping as basis for the similarity computation represents the relative binding orientation in the active site of a protein. In 61 % of all test cases, the average distance between mapped fragments is less than 4 A. 

Burke, T., Hanotte, O., Bruford, M.W. Cairns, E. (1991). Multilocus and single locus minisatellite analysis in population biological studies. In DNA Fingerprinting Approaches and Applications, ed. T. Burke, G. Dolf., A.J. Jeffreys R. Wolff, pp. 217-229. Basel Birkhauser Verlag. 

While this fingerprinting approach is growing in popularity [51], many lead ores and coal bodies have overlapping signatures, and interpretations of predominant source areas are not always unequivocal [52]. A further caveat involves emissions of atmospheric Pb from mixtures of Pb ores. For example, secondary Pb smelters today process scrap Pb from the most diverse sources. Even during... 

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