Author(s): Alejandro Espaillat*
Artificial Intelligence (AI) has emerged as a powerful tool in drug discovery and development, revolutionizing how new medicines are identified, optimized, and brought to market. Several drug discovery processes, including peptide synthesis, structure-based virtual screening, ligand-based virtual screening, toxicity prediction, drug monitoring and release, pharmacophore modeling, quantitative structure-activity relationship, drug repositioning, polypharmacology, and physiochemical activity, have leveraged AI to achieve their goals. This review provides an in-depth analysis of AI's various applications in the pharmaceutical industry, including virtual screening, molecular modeling, target identification, and drug repurposing. We discuss the challenges and opportunities associated with AI in drug discovery and its impact on the future of medicine.