chapter  Chapter 33
9 Pages

Randic Index and Its Variants: Applications

WithMonika Singh, Harish Dureja, A. K. Madan

Randic indices (connectivity indices) have been widely utilized by the scientific community for a long time. Randic index and its variants have proved to be useful tools for correlating chemical structures with vast but diverse information/data leading the to development of models for prediction of vital physicochemical, biological or biopharmaceutical properties of organic molecules. The combinatorial design approach appears to be a useful platform for the design of medicinal compounds. The concept of molecular connectivity prompted the construction of a variety of novel molecular descriptors (MDs). The aim of the present work was to review the applications of Randic index and its variants. Randic index and its variants offer a vast potential in isomer discrimination, similarity/dissimilarity, drug design, (quantitative) structure-activity/toxicity/property relationships, lead optimization, and combinatorial library design.