Please use this identifier to cite or link to this item:
|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)|
|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.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.