IR Spectra Simulation on the WorldWideWeb
The aim of the project TeleSpec is to provide a tool for the simulation of infrared spectra, especially for compounds whose spectra are not available in any database. Using the benefits of the Internet and of modern methods in computational chemistry, the TeleSpec project is based on the use of artificial neural networks and new molecular representations of structures.
TeleSpec has been developed at the Computer-Chemie-Centrum of the University of Erlangen-Nürnberg in cooperation with the Technical University of Dresden. The project has been established by the German Research Network (DFN) with the financial support of the German Ministry of Education and Research (bmbf) and with help of Chemical Concepts, the National Cancer Institute, Novartis Pharma, and SGI Germany.