Sep 2026· International Journal of Molecular Sciences· Vol 27· 0 citations· 81 references
Medicine
TL;DR
Overall, these technologies show meaningful potential to shorten development time and improve treatment safety, although further prospective validation is required before realizing this potential at scale.
Abstract
Modern scientific and technological developments are driving major advances in drug research and development. This narrative review, based on a structured search of PubMed, Scopus, and Web of Science (2018–2026), examines how artificial intelligence (AI) and machine learning (ML) are accelerating a historically prolonged and expensive process, alongside pharmacogenomics, organ-on-a-chip systems, three-dimensional (3D) bioprinting, and nanotechnology. In benchmark studies, deep learning techniques have achieved an area under the receiver operating characteristic curve (AUROC) of over 0.85 for a subset of absorption, distribution, metabolism, excretion, and toxicity (ADMET) endpoints. AI-powered models show promising, albeit platform-dependent, accuracy in predicting candidate drug properties. Pharmacogenomics enables personalized medicine by tailoring therapies according to patients’ genetic profiles, whereas organ-on-a-chip systems and 3D bioprinting provide physiologically relevant human tissue models for preclinical evaluation. In a blinded benchmark study, the Emulate Liver-Chip showed 87% sensitivity and 100% specificity for drug-induced liver injury, outperforming animal models in that specific comparison. Nanotechnology is advancing drug delivery through the use of nanoparticle systems, such as Doxil® and Onpattro®. Obstacles remain, including regulatory constraints, ethical considerations, data quality limitations, and the need for stronger validation, although ongoing funding, interdisciplinary collaboration, and evolving regulatory frameworks may support further development. Overall, these technologies show meaningful potential to shorten development time and improve treatment safety, although further prospective validation is required before realizing this potential at scale.
A paradigm shift toward autonomous scientific agents capable of causal reasoning and end-to-end experimental guidance is highlighted, and persistent challenges are discussed, including data bias, limited interpretability, and in silico-to-wet lab translation.
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