Of a large set of compounds created for a particular target, only a very few will be pursued for that target. So instead of recreating the set of compounds each time, most companies retain their libraries to get the best return on their investment. Keeping up with the compounds As combinatorial chemistry increases the size of a company's main compound library, the complexity of managing these libraries increases as well. Not only is it essential to manage the repository to physically locate and handle the compounds, but it is also vital to maintain detailed records of sample use and data from previous assays, while conserving stocks by restricting the use of scarce compounds. The process, results, and materials must be managed in an integrated fashion, from combinatorial chemistry, through high-throughput screening, to development and lead optimization.
Most companies begin with a manual repository system.
After a compound is created and analyzed, it is labeled and stored manually in a central location. Information technology systems can help scientists access compound information and analyze chemicals and biological data. Compound retrieval is simply a matter of going to the storage area, reaching for the compound, and returning with it to the bench. No records are kept of compound usage or stock levels. But as the compound collection grows, sample retrieval and preparation become increasingly unwieldy.