This introductory article describes the LinChemIn toolkit and its benefits to different potential user categories. First, we report the domain analysis, where a formal representation of the domain knowledge leads to a series of scientific and technical requirements. Next, we provide some implementation details, discussing our software architecture choices while translating the scientific requirements into computational procedures. Then, we present some applicative examples to demonstrate the functionalities implemented in the toolkit and discuss the outcome of some illustrative analyses. After that, we exemplify how developers could extend the code to incorporate new functionalities. Finally, we offer a glimpse of the LinChemIn development roadmap, highlighting the most significant functionalities planned for future releases.