Geodesics and Almost Geodesic Cycles in Random Regular Graphs

A geodesic in a graph G is a shortest path between two vertices of G. For a specific function e(n) of n, we define an almost geodesic cycle C in G to be a cycle in which for every two vertices u and v in C, the distance d(G)(u, v) is at least d(C)(u, v) - e(n). Let omega(n) be any function tending to infinity with n. We consider a random d-regular graph on n vertices. We show that almost all pairs of vertices belong to an almost geodesic cycle C with e(n)= log(d-1)log(d-1) n+omega(n) and vertical bar C vertical bar =2 log(d-1) n+O(omega(n)). Along the way, we obtain results on near-geodesic paths. We also give the limiting distribution of the number of geodesics between two random vertices in this random graph. (C) 2010 Wiley Periodicals, Inc. J Graph Theory 66: 115-136, 2011

New Improvements in Automatic Structure Elucidation Using the LSD (Logic for Structure Determination) and the SISTEMAT Expert Systems

This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.