In this section, we discuss the chemical multiverse of compounds associated with DILI reports, and a methodology to integrate chemical space data. chemical and physicochemical (e.g., drug-like properties), or in vitro data of this dataset. The data points colored in red represent compounds associated with DILI events (i.e., compounds associated with hepatotoxic signatures), in contrast with the compounds represented with data points in blue (that have not been related to DILI issues). Figure illustrates an overview of the impact of each kind of descriptor on the clustering of compounds associated with DILI events. For example, the poor clustering generated by data from bidimensional structural descriptors (MACCS fingerprint -Figure ) suggests that this information is not enough to cluster the compounds according to their DILI events. In contrast, topological (tridimensional) descriptors (like RDKIT) offer a better clustering of compounds associated with DILI events (red dots). Interestingly, the poor clustering based on drug-like properties (Figure )