Fragment-based drug discovery in an integrated informatics environment

From the outset, Astex have committed to developing a highly integrated informatics platform for fragment-based drug discovery. This ensures scientists from all disciplines have all relevant data at their fingertips, and creates an environment that democratizes the drug-discovery process. Here, we will discuss a number of tools that we have developed to achieve this. These range from chemoinformatics approaches to improve our fragment library and assist in the hit-validation stages of a project, to the use of protein-ligand structural databases for hit-to-lead optimization.