A Structure-Activity Relationship (SAR) Study of Neolignan Compounds with Anti-schistosomiasis Activity

A Structure-Activity Relationship (SAR) Study of Neolignan Compounds with Anti-schistosomiasis Activity

A set of eighteen neolignan derivative compounds with anti-schistosomiasis activity was studied by using the quantum mechanical semi-empirical method PM3 and other theoretical methods in order to calculate selected molecular properties (variables or descriptors) to be correlated to their biological...

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Bibliographic Details
Main Authors: Alves Claúdio N., Macedo Luiz G. M. de, Honório Káthia M., Camargo Ademir J., Santos Lourival S., Jardim Iselino N., Barata Lauro E. S., Silva Albérico B. F. da
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2002-01-01
Series:Journal of the Brazilian Chemical Society
Subjects:
PM3
neolignans
anti-schistosomiasis
principal component analysis
hierarchical cluster analysis
discriminant analysis
Kth nearest neighbor
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532002000300003

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532002000300003

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