Generative AI Models in Drug Discovery

The integration of AI and bioinformatics is driving the design of innovative generative AI models in pharmaceutical development, focusing on overcoming the challenges of long development cycles and high costs inherent in traditional pharmaceutical processes. By leveraging generative AI technologies, this research accelerates the design and optimization of molecules. For instance, research in De Novo molecular generation enables the design of new drug molecules and the rapid identification of promising candidates. Furthermore, research on functional group generation based on molecular scaffolds optimizes molecular properties by incorporating new functional groups into existing scaffolds, enhancing the precision and efficacy of drug candidates. Additionally, research on targeted drug generation based on gene expression profiles uses disease-specific genetic data to design precise and effective therapies, contributing to the improvement of personalized medicine. These technologies not only accelerate drug discovery and improve efficiency in the pharmaceutical industry but also represent a critical step toward the realization of precision medicine.