Efficiency in the early stages of the drug discovery pipeline, from hit identification to lead optimisation, is key to the development of new drugs. The initial identification of a hit compound is typically carried out using one of two approaches. In target-based drug discovery the molecular target of interest is known . With this knowledge, libraries containing many compounds are screened (experimentally or computationally) against the known target to identify promising candidates or chemical scaffolds for further development. Through testing these chemicals, the key binding interactions may be identified and more directed structure activity relationship (SAR) studies can be conducted to optimise activity.