Document Detail

Sesquiterpene lactone-based classification of three Asteraceae tribes: a study based on self-organizing neural networks applied to chemosystematics.
MedLine Citation:
PMID:  15680991     Owner:  NLM     Status:  MEDLINE    
This work describes an application of artificial neural networks on a small data set of sesquiterpene lactones (STLs) of three tribes of the family Asteraceae. Structurally different types of representative STLs from seven subtribes of the tribes Eupatorieae, Heliantheae and Vernonieae were selected as input data for self-organizing neural networks. Encoding the 3D molecular structures of STLs and their projection onto Kohonen maps allowed the classification of Asteraceae into tribes and subtribes. This approach allowed the evaluation of structural similarities among different sets of 3D structures of sesquiterpene lactones and their correlation with the current taxonomic classification of the family. Predictions of the occurrence of STLs from a plant species according to the taxa they belong to were also performed by the networks. The methodology used in this work can be applied to chemosystematic or chemotaxonomic studies of Asteraceae.
Fernando B Da Costa; Lothar Terfloth; Johann Gasteiger
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Phytochemistry     Volume:  66     ISSN:  0031-9422     ISO Abbreviation:  Phytochemistry     Publication Date:  2005 Feb 
Date Detail:
Created Date:  2005-01-31     Completed Date:  2005-04-08     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0151434     Medline TA:  Phytochemistry     Country:  United States    
Other Details:
Languages:  eng     Pagination:  345-53     Citation Subset:  IM    
Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Av. do Café s/n, 14040-903 Ribeirão Preto, SP, Brazil.
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MeSH Terms
Asteraceae / chemistry*,  classification*
Classification / methods*
Lactones / analysis*,  chemistry*
Molecular Structure
Neural Networks (Computer)*
Sesquiterpenes / analysis*,  chemistry*
Reg. No./Substance:
0/Lactones; 0/Sesquiterpenes

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

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