This developed workflow is designed to be accessible not only to computational chemists but also to those without a computational background through multiple interfaces, including a command line interface, a webbased user interface, an API, and a stand-alone Python module for integration into more complex systems. For example, this workflow can be used in further molecular discovery and optimization to design specific directing groups that can facilitate the functionalization of remote C-H bonds, like meta-or para-functionalization. This can be done by using the workflow in the scoring function of a genetic algorithm, for example. Here, the absolute directing strength towards a specific site can be used to score different directing groups to each other and have the genetic algorithm design molecules that increase the directing strength of a directing group towards a specific site.