A graph theoretical characterization of proteomics maps

Abstract

Abstract We consider the numerical characterization of proteomics maps based on graph theoretical invariants. A graph is associated with a map using partial ordering of map spots. From graph constructed in this way, one can extract several graph theoretical invariants. In addition, one can embed the derived graph directly over the map and characterize it by invariants of an accompanying distance matrix. Finally, we introduce an in‐between characterization of a map based on the distance‐adjacency matrix in which only distances between adjacent vertices (spots) of embedded graph are considered. The advantage of such an approach follows from the fact that the distance‐adjacency matrix is a sparse matrix which is computationally less intensive. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001