Prediction of selectivity of α 1 -adrenergic antagonists by counterpropagation neural network (CP-ANN)
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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.
Keywords:Cp-ANN / Molecular descriptors / Î± 1 -adrenergic antagonists
Source:Farmaco, 2004, 59, 5, 389-395
- Elsevier Masson SAS
- Ministry of Science, Technology and Development of the Republic of Serbia (Project no. 1458 - Molecular structures, chemical transformations, physicochemical characterization, pharmaceutical purity and analysis of pharmacologicaly active compounds).