A Quantitative Evaluation of Several Infrared Searching Systems

Author:

Erley D. S.1

Affiliation:

1. Computation Research Laboratory, The Dow Chemical Company, Midland, Michigan 48640

Abstract

Infrared file searching programs must try to achieve high relevance while allowing for errors between the coded standard data and the unknown. A scoring system has been devised so that individual searches can be quantitatively evaluated; this also allows the overall performance of the search algorithm to be calculated. Several searching programs for the ASTM ir data file are compared using a test group of 138 unknown spectra selected at random from the literature. Search costs and a cost/performance ratio are also calculated for each system.

Publisher

SAGE Publications

Subject

Spectroscopy,Instrumentation

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1. Elektronische Datenverarbeitung in der Chemie - Chemische Forschung und nichtnumerische Informationsverarbeitung;Zeitschrift für Chemie;2010-09-01

2. Über ein maschinenorientiertes Suchsystem für Infrarotspektren;Zeitschrift für Chemie;2010-09-01

3. Spectral Databases, Infrared;Encyclopedia of Analytical Chemistry;2000-10-30

4. Automatic Generation of Knowledge Base from Infrared Spectral Database for Substructure Recognition;Journal of Chemical Information and Computer Sciences;2000-03-01

5. Vibrational spectroscopy of polymers;Spectroscopy of Polymers;1999

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