The growing emergence of antibiotic super-resistant bacteria leads to about 700,000 deaths of people a year. In addition, often treatment is discontinued taking the patient to a second cocktail with other drugs, significantly increasing the cost to the Brazilian Public Health System. Thus, it becomes of paramount importance the development and study of structures of controlled release of medicines within organisms. This new technology allows to release the drug gradually into the specific site of action reducing the need for high doses and treatment time. Artificial Intelligence techniques are used to infer new transport structures, through evolutionary algorithms and to improve and validate current existing structures.