Review of chemical signature databases
Laura Borland1, Mark Brickhouse, Tracey Thomas
1Booz Allen Hamilton Inc., 4692 Millennium Drive, Suite 200, Belcamp, MD 21071, USA.
Abstract:
This review assesses the current state of chemical signature databases, the primary characteristics that determine their applicability, characterization of their capability to support spectral identifications, and the target audience to which they are directed. Database file formats, spectrometer operating conditions, and spectral matching tools are found to be primary characteristics that determine the applicability of databases and their ability to support spectral identifications. Chemical signature databases have evolved in two very different directions. One movement offers a single portal for chemical signature determinations by multiple analytical techniques. The other movement is toward highly specialized databases that address narrow scientific disciplines. Both movements are necessary, and serve distinctly different needs in the analytical community.
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