IR Spectra Simulation and Information Processing on the WWW

Abstract

Substance identification by IR-spectroscopic methods generally is performed by comparing the measured spectrum with a reference spectrum from a database. If the desired spectrum is not contained in the database, another method of substance identification has to be found.
Based on neural network techniques, we have developed a method which provides rapid access to simulated reference spectra. Within the scope of the 'TeleSpec-Telecooperation in Spectroscopy'-Project, this algorithm has been made available through a WWW interface. With a JAVA-enabled Web browser, interactive spectra prediction experiments can be performed.