In chemoinformatics, chemical libraries are fundamental tools for conducting various analyses. These libraries vary significantly in the types of data they contain, including chemical structures and substructures, physicochemical descriptors, molecular fingerprints, and pharmacological information, among several others. This diversity of data allows researchers to explore relationships between molecular characteristics and their properties, facilitating advancements in research areas such as drug discovery, food chemistry, natural product research, and materials science, to name a few examples.