Random walks and chemical graph theory

J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1521-5. doi: 10.1021/ci040100e.

Abstract

Simple random walks probabilistically grown step by step on a graph are distinguished from walk enumerations and associated equipoise random walks. Substructure characteristics and graph invariants correspondingly defined for the two types of random walks are then also distinct, though there often are analogous relations. It is noted that the connectivity index as well as some resistance-distance-related invariants make natural appearances among the invariants defined from the simple random walks.