Study of role of Cheminformatics in the Modern Drug Discovery Process

Abstract

Cheminformatics is concerned with the application of computational methods to tackle chemical problems, with particular emphasis on the manipulation of chemical structural information. Many of the techniques used in Cheminformatics are in fact rather well established, being the result of years if not decades of research in academic, government and industrial laboratories. Whilst some of the current interest in Cheminformatics can be ascribed to the natural enthusiasm for things new, the main reason for its emergence can be traced to the need to deal with the vast quantities of data being generated by new approaches to drug discovery such as high-throughput screening and combinatorial chemistry.