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Prediction of selectivity of α1-adrenergic antagonists by counterpropagation neural network (CP-ANN)

Authors
Journal
Il Farmaco
0014-827X
Publisher
Elsevier
Publication Date
Volume
59
Issue
5
Identifiers
DOI: 10.1016/j.farmac.2003.12.009
Keywords
  • Cp-Ann
  • α1-Adrenergic Antagonists
  • Molecular Descriptors
Disciplines
  • Computer Science

Abstract

Abstract A quantitative structure-selectivity relationships of series of structurally diverse α 1-adrenergic antagonists was performed by using counter-propagation neural network (CP-ANN). The theoretical molecular descriptors have been calculated and selected using CODESSA program. The results obtained for a highly non-congeneric set of molecules have confirmed the potential of use of CP-ANN approach in prediction of relative activity (selectivity) of α 1-adrenergic antagonists.

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