Cheminformatics is based on computational chemistry programs for the acquisition, analysis, and visualization of chemical structure data sets . Section 3 described the most common metrics used in chemoinformatics studies. This discipline includes the management of biochemical or biological information from experimental data [104] and spectral data . On the other hand, chemoinformatics is a fundamental tool in biochemical science research and biomedical areas related to biological systems, metabolomics, proteomics, and chemogenomics applied to drug discovery and development [106-108] 4.2. Bioinformatics Bioinformatics involves using computational analysis of biological data, which is relevant in pharmacological, biological, and biomedical studies . In drug discovery, bioinformatic helps to evaluate in silico the interaction of cellular components, tissues, peptides, proteins, ADN, ARN, antibodies with endogenous metabolites, chemical compounds, and tissular fragments (monoclonal antibody, antitoxin) to predict how these biological systems are affected because of these molecular interactions . This research field is strongly leading to drug discovery and development (DDD) , genome analysis, with an approach to personalized medicine for the development of a drug, and the optimization of biological targets [112] using protein-protein simulation, homology models, and molecular docking and dynamic tools with chemical libraries .