This paper presents an analysis of entropy-based molecular descriptors. Specifically, we
use real chemical structures, as well as synthetic isomeric structures, and investigate …

This volume covers the rapidly develo** field of complexity studies with the underlying
theme that complexity is to be found everywhere. The volume discusses many chemical …

It is demonstrated how the complexity of a (molecular) graph can be quantified in terms of
the walk counts, extremely easily obtained graph invariants that depend on size, branching …

Complexity and diversity indices based on fundamental mathematical entities (topological
invariants) are used to calculate the changes that take place during synthetic reactions, such …

In discussions of unsaturated compounds represented by multigraphs it is necessary to
distinguish between the notions of substructure and subgraph. Here the difference is …

Complexity and diversity indices can be used to evaluate the structural changes that take
place during the course of a synthesis. From the generalized 'complexity versus step'plot …

The concept of complexity is rather difficult to define [2]. Some authors have even stated that
nobody knows how to define complexity [3]. This did not prevent the science publishing …

The problem of finding all nonisomorphic subgraphs of a given graph (all distinct
substructures of a given molecular structure) is discussed. A computer program is introduced …

In this report we review the literature in the area of combinatorial enumeration in chemistry
published in the last two years–from June 2001 to May 2003. In our earlier report'we …

There are at least two significant applications of partial order theory in chemistry: Ranking
methods and substances' properties prediction. In both cases, a set of objects is endowed …