Journal of Chemical Information and Computer Sciences · 1997 · 33 citations · 6 references
ComputingComputer ScienceMathematicsAlgorithmsStructural AnalysisAlgorithm AnalysisDirected Acyclic GraphsGeometric GraphsGraph AlgorithmsGraph TheoryShortest Path AlgorithmsDetour Ratio AnalysisShortest Paths
An algorithm for the detection of the longest path between any two vertices of a graph was proposed. The method was used to calculate the detour index of fused bicyclic structures. Analytical formulas for the detour index of fused bicyclic structures were derived, and it was shown the these can only be third-order polynomials.
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Novel molecular descriptor for structure—property studies
Milan Randić · Chemical Physics Letters · 1993 · 371 citations