Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/102083
Type: Artigo de evento
Title: Comparison Between Neural Networks (nn) And Principal Component Analysis (pca): Structure Activity Relationships Of 1,4-dihydropyridine Calcium Channel Antagonists (nifedipine Analogues)
Author: Takahata Y.
Costa M.C.A.
Gaudio A.C.
Abstract: The applicability of the neural network computer package PSDD (Perceptron Simulator for Drug Design/Perceptron-type Neural Network Simulator) in structure-activity relationship (SAR) studies was investigated. A group of 1,4-dihydropyridine derivatives was used in order to compare the PSDD results with those obtained previously with PCA. Calculated atomic and molecular descriptors using the semiempirical AM1 method were mainly used. It was shown that the predictive capability demonstrated by PSDD in SAR analysis were almost equivalent to that of PCA.
Editor: 
Rights: fechado
Identifier DOI: 10.1021/ci010117m
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-0037363706&partnerID=40&md5=1540a66df50c212f47e486bd00bd2004
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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