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Paper Details

Algorithm for Direct Combinatorial Enumeration of Chiral and Achiral Graphs of Homopolysubstituted Adamantane Derivatives

Robert Martin Nemba1*, Anguil Jean-Jacques2, Crislain Bissielou2 and Patouossa Issofa1

Journal Title:Journal of Chemical, Biological and physical sciences
Abstract


An Algorithm is given for direct combinatorial enumeration of distinct skeletons of homopolysubstituted adamantane derivatives having the empirical formula C10H16-qXq where X is a non isomerisable substituent and q the degree of substitution. The averaged weights of permutations controlling respectively the chirality and the achirality fittingness are calculated for the parent adamantane in Td symmetry and then converted into generalized formulas for computing (16 ) c A ,q and (16 ) ac A ,q which are the numbers of chiral and achiral skeletons for any adamantane molecule having a degree of homopolysubstitution 0 ? q ? 16.

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