Computer-based screening of compound databases for the identification of novel leads

In the increasingly competitive pharmaceutical industry, novel targets and mechanisms of action are being investigated in the search for the high-quality drugs required by patients and regulatory authorities, As a result of this move towards novel targets, the initial stage of drug discovery, finding a lead structure, becomes increasingly difficult. Computer-based screening is gaining recognition as a key tool for this part of the drug discovery process. A symbiosis of computational analysis and high-speed synthesis offers exciting potential for the future.