Analysis, navigation, and visual representation of the chemical space have been the focus of several research projects, as discussed in the next sections. In theory, the multi-dimensional space can be formed by two (or even one) dimensions, e.g., a single or two descriptors that encode a specific set of structural or functional properties of the molecules. However, depending on the goals of the project, the number of dimensions is typically more than three and eventually could contain hundreds or a few thousands of descriptors, for instance, when using structural fingerprints. The For several decades, the chemical space concept has been of interest in several areas of chemistry, emphasizing drug discovery. With the rapid advances in machine learning and de novo design and the number of chemical compounds that exist or could be made, the community has a significant interest toward enumerating large-and ultra-large chemical libraries containing billions of chemical structures . Hence, there is an increased interest in analyzing, exploring, and generating visual representations of the extensive chemical libraries under the chemical space concept.