Clasterization of alcaloids with use of geometric and electronic descriptors of molecules

   
Pogrebnyak A.V.1 , Glushko A.A.1

1. Pyatigorsk State Pharmaceutical Academy
Section: Experimental/Clinical Study
Year: 2004
Way of clasterizaton of plant alcalouds, using physical and chemical and topological descriptors of molecular structure has been developed. In a basis of classification lays the cluster analysis of a set of physical and chemical deskriptors of alcaloids. The received classification allows to make as-sumptions of possible biological activity of new unexplored alcaloids and can be used as the tool for forecasting of biological activity in the ranks of related structures
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Pogrebnyak, A. V., Glushko, A. A. (2004). Clasterization of alcaloids with use of geometric and electronic descriptors of molecules. Biomeditsinskaya khimiya, 50(application 1), 85-100.
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