Chemoinformatics is one of the independent disciplines that has become a pillar during the development and design of new drugs and, therefore, indispensable in pharmaceutical chemistry. This area of knowledge allows solving problems in the management and presentation of information in chemistry by integrating different computational techniques and methods. Chemoinformatics merges chemistry and informatics to solve tasks in chemistry. Figure illustrates schematically the broad applications of Chemoinformatics in drug discovery and many other chemistry areas. One of Chemoinformatics's most widely acknowledged accomplishments is its contribution to providing access to chemical information within databases. The vast volume of data related to chemical compounds, encompassing their physical, chemical, and biological properties, has promoted the creation of databases designed for the efficient storage and electronic dissemination of this information. To further enhance the utility of these databases, various computational methods have been devised. These methods facilitate more effective information retrieval by enabling comprehensive searches based on complete structures, substructures, and similarity. This approach streamlines data mining and enhances the overall efficiency of database searches.