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

   


1. Pyatigorsk State Pharmaceutical Academy
Type: Experimental/clinical study
UDK: 615.2/.3:547.022:541.2].001.24     
Year: 2004 vol: 50  application: 1  pages: 85-100
Abstract: 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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Reference: Pogrebnyak A.V., Glushko A.A., Clasterization of alcaloids with use of geometric and electronic descriptors of molecules, Biomeditsinskaya khimiya, 2004, vol: 50(application 1), 85-100.
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