Combinatorial Chemistry and Molecular Diversity. An Overview

Combinatorial chemistry is no longer viewed as a speculative technique for R&D in the pharmaceutical and agrochemical industries but has become an established important technology. High throughput screening and combinatorial chemistry are altering the character of discovery research. This paper introduces the principles of design and synthesis of small molecule libraries and discusses software being developed in generation of molecular diversity, in molecular design and analysis, in handling the information explosion, in information management, and in decision support to enable drug discovery groups to accelerate the planning and development of libraries, improve work group communication, and facilitate the generation of ideas.