“You’ve got the Body I’ve got the Brains” – Could the current AI-based tools replace the human ingenuity for designing new drug candidates?

The emergence of artificial intelligence (AI) tools has transformed the landscape of drug discovery, providing unprecedented speed, efficiency, and cost-effectiveness in the search for new therapeutics. From target identification to drug formulation and delivery, AI-driven algorithms have revolutionized various aspects of medicinal chemistry, significantly accelerating the drug design process. Despite the transformative power of AI, this perspective article emphasizes the limitations of AI tools in drug discovery, requiring inventive skills of medicinal chemists. However, the article highlighted that there is a need for a harmonious integration of AI-based tools and human expertise in drug discovery. Such a synergistic approach promises to lead to groundbreaking therapies that address unmet medical needs and benefit humankind. As the world evolves technologically, the question remains: When will AI tools effectively design and develop drugs? The answer may lie in the seamless collaboration between AI and human researchers, unlocking transformative therapies that combat diseases effectively.