New Improvements in Automatic Structure Elucidation Using the LSD (Logic for Structure Determination) and the SISTEMAT Expert Systems-Reference-Cited by-同舟云学术

New Improvements in Automatic Structure Elucidation Using the LSD (Logic for Structure Determination) and the SISTEMAT Expert Systems

Published:2010-05 Issue:5 Volume:5 Page:1934578X1000500
ISSN:1934-578X
Container-title:Natural Product Communications
language:en
Short-container-title:Natural Product Communications

Author:

Plainchont Bertrand¹,Nuzillard Jean-Marc¹,Rodrigues Gilberto V.²,Ferreira Marcelo J. P.³⁴,Scotti Marcus T.⁴⁵,Emerenciano Vicente P.⁴

Affiliation:

1. UMR 6229, University of Reims, Moulin de la Housse, BP 1039, 51687 REIMS Cedex 2, France

2. Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 30161-000, Belo Horizonte, MG, Brazil

3. Centro de Ciências e Humanidades, Universidade Presbiteriana Mackenzie, 01302-907, São Paulo, SP, Brazil

4. Instituto de Química, Universidade de São Paulo, Caixa Postal 26077, 05513-970, São Paulo, SP, Brazil

5. Centro de Ciências Aplicadas e Educação, Campus IV – Litoral Norte, Universidade Federal da Paraíba, 58297-000, Rio Tinto, PB, Brazil

Abstract

This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.

Publisher

SAGE Publications

Subject

Complementary and alternative medicine,Plant Science,Drug Discovery,Pharmacology,General Medicine

Link

http://journals.sagepub.com/doi/pdf/10.1177/1934578X1000500517

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