The Role of Agentic AI in Next-Generation Drug Discovery and Automated Pharmacovigilance for Rare and Neurological Diseases

Abstract

The world's first agentic artificial intelligence designer, established in 2016, was applied to and validated in drug discovery processes. The founders of the pioneer companies in 1994 and 2016 created nearly identical engineering principles, properties, and methods with diverse mathematical and logical variants. In design, discovery, and validation engineering, discovery engineering designs, discovers, and validates AI-managed flexible and highly selective ligands, with advantages in shaping and drug repositioning applications. The agentic AI role avoids random results of conventional AI by not creating pharmaceutically irrelevant knowledge from irregularities or artifacts in drug action data constraints. Its retrospective, when required, and forward pharmacovigilance identify unknown ligand problems and related molecular mechanisms for safe medications. Next, the candidate ligands that are already in their concepts and mechanisms of action can be free of real-world evidence at the time of being formulated as investigational new drugs or old drug license suspensions, which can remove the success delay in the ligand-to-market process and greatly diminish the winding drug discovery path of the tangible cost of drug development. The key biomedical AI potential and practical contribution to future global countries are the top-value discoveries of highly selective ligands with mechanism of action attributes returned as actual site determinants. High-value products are sold out without the need for sales costs. Their buyers are satisfied patients, clinicians, payers, and regulators. The fundamental variables that determine the compound action efficiency of all effective medicines that induce the end of disease can be modeled and individually quantified. Their common topological pathway can be predicted and validated with the experimental approach as discovery aims to create specific reactions of a single or small number of predefined chemical compounds with a single or small subset of predefined targets.