The polyhex/polypent topological paradigm: regularities in the isomer numbers and topological properties of select subclasses of benzenoid hydrocarbons and related systems

Abstract

The informatics on benzenoid hydrocarbons and related systems is reviewed. This informatics involves a collection of algorithms used to discover, process, and analyze patterns in structure/formula data sets. The unique organizational structure that emerges will be useful to chemists with an interest in polycyclic aromatic compounds, environmental chemists, material scientists, and other scientists wishing for a greater understanding of the formation of carbonaceous materials. This tutorial review will show that isomer enumeration can lead to significant chemical insights. The isomer number regularities will be shown to have a structural origin referred to as the polyhex/polypent topological paradigm.