The Randić index is a topological index used in mathematical chemistry to predict the biological activity and chemical properties of molecules based on their molecular graph. It is defined as the sum of the reciprocals of the square roots of the degrees of adjacent vertices, providing insights into the branching of chemical structures.

Randic 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

Biological activity refers to the effect a substance has on living organisms, tissues, or cells, and is a critical measure in pharmacology and toxicology for assessing the efficacy and safety of drugs and chemicals. It encompasses a wide range of interactions, including enzyme inhibition, receptor binding, and gene expression modulation, which are crucial for understanding the mechanism of action of bioactive compounds.

Biological Activity

Chemical properties describe the potential of a substance to undergo chemical changes or reactions due to its composition. These properties are intrinsic to the substance and determine its behavior in chemical processes, influencing how it interacts with other substances.

Chemical Properties

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