Role of Artificial Intelligence in Pharmaceutical Research
Abstract
Artificial intelligence (AI) has emerged as a transformative technology in pharmaceutical research, offering innovative solutions to long-standing challenges in drug discovery, development, formulation, and clinical decision-making. The pharmaceutical industry faces increasing pressure to reduce research timelines, minimize expenditure, and enhance success rates of new molecular entities, all while maintaining safety and efficacy standards. AI-driven computational models, including machine learning (ML), deep learning (DL), natural language processing (NLP), and generative algorithms, have revolutionized the identification of drug targets, prediction of molecular interactions, and optimization of drug candidates. These technologies enable the rapid screening of large chemical libraries, prediction of ADMET properties, virtual clinical trial simulations, and personalized medicine strategies using real-world datasets. In addition, AI supports formulation development by modeling excipient compatibility, optimizing process parameters, and ensuring consistent product quality through predictive quality-by-design (QbD) tools. The integration of AI in pharmacovigilance enhances adverse event detection, signal identification, and risk assessment through automated data mining of medical reports, social media, and electronic health records. Despite its promising potential, the application of AI faces challenges such as data privacy concerns, algorithmic transparency, regulatory acceptance, and the need for high-quality datasets. This review comprehensively discusses the current applications, technological advancements, opportunities, and limitations of AI in pharmaceutical research, highlighting its growing role as a catalyst for innovation and future global healthcare improvement.
Fields of Study & Subjects
Computational Drug Discovery Methods
Artificial Intelligence in Healthcare and Education
Artificial Intelligence Applications
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 6 February 2026