VIRTUAL SCREENING - AN OVERVIEW

Recent advances in combinatorial chemistry and high-throughput screeni ng have made it possible for chemists to synthesize large numbers of c ompounds. However, this is still a small percentage of the total numbe r that could be synthesized. Virtual screening encompasses a variety o f computational techniques that allow chemists to reduce a huge virtua l library to a more manageable size. This review presents the current state of the art in virtual screening and discusses approaches that wi ll allow the evaluation of larger numbers of compounds.