The chemical space concept leads to a given set of n molecules represented with different descriptors would lead to distinct chemical universes. It also follows that molecules with very different chemical nature, for instance, organic small-molecules (e.g., lead-and drug-like); peptides; metal-containing compounds, macromolecules, biologics, etc., yield divergent chemical spaces. This is due to the own nature of the descriptors required to represent the compounds. In addition, the number and type of chemical and biological-related descriptors available from experimental data or computational calculations, e.g., quantum mechanics , are also increasing, yielding the possibility of augmenting the number of possible valid chemical spaces.