Abstract
Drug discovery is a complex process involving target identification, lead
generation, and clinical development. Recent breakthroughs in genomics and AI-driven
approaches have expedited target identification. Rational drug design and advanced
chemistry techniques have improved lead compound optimization—preclinical testing
benefits from organ-on-a-chip systems and 3D cell culture models. Clinical
development is enhanced by personalized medicine and innovative trial designs. Across
all stages, big data, machine learning, and AI play pivotal roles in data analysis and
candidate selection. Collaboration between academia, industry, and regulators fosters a
more efficient drug development ecosystem. These advancements offer promising
prospects for tackling challenging diseases and enhancing global healthcare.
Keywords: Computer-aided drug discovery, Drug discovery methods, Druglikeness, Solubility, Target identification.