To explore such a vast chemical space, several cheminformatics tools have been built. These techniques range from simple nearest neighbor search to generative models based on large language models. These tools are mainly built to either focus on a very specific subspace of the total chemical space (e.g. drugs) or to explore the chemical space as a whole, as a visualization strategy. Recent developments in graph-based methods such as molecular networks have provided the means of a more detailed exploration of the chemical space. 11,58-60 However, the application of these tools have been limited to mostly visualizing the chemical space and to the drug discovery area, due to the sheer size and the diversity of the chemical space.