Integrating AI Models for Predicting Drug Efficacy and Toxicity
Abstract
The incorporation of artificial intelligence (AI) in drug research holds the potential for making transformative predictions of drug efficacy and toxicity with unprecedented speed and accuracy. Traditional pipelines for the discovery and development of medicinal products are time-consuming, expensive, and susceptible to breakdowns, especially at the clinical stage of research, which often result in adverse effects or inadequate therapeutic benefits. AI models, particularly those utilizing deep learning, machine learning, and systems biology, are employed to simulate complex biological interactions, predict pharmacokinetics and pharmacodynamics, and assess molecular security profiles early in the development cycle. By analyzing large datasets from genomics, proteomics, electronic health records, and preclinical assays, these models facilitate better-informed decision-making, including drug development, precision medicine, and adaptive clinical research design.
Fields of Study & Subjects
Computational Drug Discovery Methods
vaccines and immunoinformatics approaches
Pharmacogenetics and Drug Metabolism
Publication details
- Journal / source
- Advances in computational intelligence and robotics book series
- Pages
- 267–296
- Publication date
- 8 January 2026
- Document type
- Book chapter