Science has evolved towards a more holistic and multi-and transdisciplinary perspective. Now, various disciplines are emerging, being the product of the combination of different perspectives that have emerged from multidisciplinary research groups. Thus, chemoinformatics, being a relatively young discipline (≈ 25 years old), has given rise to the creation of new disciplines and subdisciplines that combine chemical, biological, and biomedical science data . Figure illustrates examples of data used in chemistry, biology, and biomedical sciences, which lead to related disciplines. Now, disciplines related to the study of materials, polymers, and food chemicals have emerged, and other disciplines most related to biology and biomedical concepts have also benefited from methodologies, concepts, and protocols originally used in chemoinformatics focused on drug discovery. For example, molecular modeling, drug design, and toxicology-related informatics disciplines.