High-throughput and virtual screening: core lead discovery technologies move towards integration

In addition to high-throughput screening (HTS), the main lead discovery tec hnology employed by most pharmaceutical companies today is virtual screenin g (VS). Although the two techniques have somewhat different philosophical o rigins, they contain many synergies that can potentially enhance the lead d iscovery process. Here, we describe many of the latest developments in VS t echnology with particular emphasis on their potential impact on HTS in, for example, focussed screening and data mining, In addition, we highlight key issues that need to be addressed before the potential of such efforts can be fully realized.