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Spectroscopy
Volume 12, Issue 2, Pages 91-98
http://dx.doi.org/10.1155/1994/702697

Applications D'Intelligence Artificielle Dans La Chimie Organique. XVII. Nouveaux Programmes Du Projet SISTEMAT

Vincente de Paulo Emerenciano,1 Gilberto do V. Rodrigues,1 Patricia A. T. Macari,1 Sandra A. Vesti,1 Joao H. G. Borges,1 J. P. Gastmans,2 and Denise L. G. Fromanteau2

1Instituto de Quimica, USP, C. P. 20780, Sao Paulo, Brazil
2Faculdade de Engenharia, UNESP, 12500, Guaratingueta, S. P., Brazil

Copyright © 1997 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

This work describes the new improvements of the SISlEMAT project, one system for structural elucidation mainly in the field of Natural Products Chemistry. Some examples of the resolution of problems using 13C Nuclear Magnetic Resonance and Mass Spectroscopy are given. Programs to discover new heuristic rules for structure generation are discussed. The data base contains about 1000 13C NMR spectra.