The Zagreb Index is a topological index used in mathematical chemistry to predict the properties of molecules based on their molecular graph. It is calculated using the degrees of the vertices of the graph, providing insights into the molecule's branching and overall structure.

Zagreb Index

A topological index is a numerical value that characterizes the topology of a molecular graph, often used in chemistry to predict the properties of molecules. It captures the structural information of the molecule without considering the specific geometrical arrangement or atomic details, enabling comparisons and predictions across different molecular structures.

Topological Index

Mathematical chemistry

Properties of molecules

A molecular graph is a graphical representation of the atomic structure of a molecule, where atoms are depicted as vertices and bonds as edges. This abstraction is crucial for computational chemistry and cheminformatics, enabling the analysis of molecular properties and behavior through graph-theoretical approaches.

Concepts

Relevant Degrees

Your Lessons