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The Role of Artificial Intelligence in the Discovery of New Drugs

  • Mariana Pegrucci Barcelos,
  • Carlos Henrique Tomich de Paula da Silva

摘要

The drug discovery and development process is a long and complex journey that involves several steps, from identification of biological targets to clinical approval and commercialization. This process traditionally takes more than a decade and requires billion-dollar in investments. Artificial intelligence (AI) is revolutionizing the process by accelerating multiple phases by analyzing vast amounts of biological and chemical data to identify patterns that would be impossible to detect manually. Machine learning tools, for example, can predict the interaction between compounds and biological targets, optimize the properties of candidate drugs and suggest new molecular structures based on large databases of chemical compounds. But the use of AI in drug development raises significant ethical and regulatory questions. Challenges include the transparency of AI algorithms, which are often seen as “black boxes,” and the need for rigorous validation to ensure the safety and effectiveness of medicines developed with the help of AI. Furthermore, there is concern about the privacy and security of the data used and generated during the development process. Thus, the future of AI in the pharmaceutical industry is promising, with the potential to radically transform the way medicines are discovered and developed, but it is crucial to address the ethical and regulatory challenges to ensure that these technologies are used in a responsible and beneficial way for the pharmaceutical industry and society.