Applications of Chemical Graph Theory to Organic Molecules

Correction: The Discrimination Power of Structural SuperIndices

“…Superindices [25,36,37] are combinations of existing indices, where ''combination'' means algebraic or transcendental operations on the component indices. The term superindex was coined by Bonchev et al [25] who devised superindices to achieve better discrimination between isomers than was possible using individual graph measures.…”

“…Dehmer et al [36] applied information-theoretic superindices to the Ames benchmark dataset of Hansen et al [41] using supervised machine learning. In addition, Pogliani [37] derived certain superindices and demonstrated their power to predict melting points.…”

“…In this paper, we explore the uniqueness of so-called superindices [25,36,37] for graphs (see section 'SuperIndices'). Such superindices have been studied in structural chemistry and other disciplines [25,36,37].…”

“…In this paper, we explore the uniqueness of so-called superindices [25,36,37] for graphs (see section 'SuperIndices'). Such superindices have been studied in structural chemistry and other disciplines [25,36,37]. A superindex is a composition of several structural index components, and is designed to obtain a measure which captures structural information more meaningfully than the individual components by themselves.…”