Experiences with Reactor in Pipeline Pilot
Virtual libraries are potentially a source of novel compounds which could be used in virtual screening, lead optimization and lead hopping. In order for a virtual compound library to be of use to a scientist, it should be synthetically accessible, with a well defined reaction scheme that uses readily available starting materials. ChemAxon’s Reactor supports 'smart' reactions for generating chemically feasible products. Integration of Reactor as a Pipeline Pilot component allows for intelligent enumeration of reactions with the ability to further process the output all in one platform. The utilization of some recent improvements to the Reactor component for Pipeline Pilot will be highlighted.