THE ALGORITHMIC APOTHECARY: ACCELERATING DRUG DISCOVERY FROM OMICS TO OUTCOMES
Abstract
Artificial Intelligence (AI), encompassing Machine Learning (ML) and Deep Learning (DL), is revolutionizing traditional drug discovery, a process traditionally characterized by long timelines (10 to 17 years) and high costs (up to 2.8 billion). AI enhances efficiency, accuracy, and success rates across the pharmaceutical pipeline, accelerating target identification, de novo drug design, virtual screening (VS), and clinical trial optimization. Key methodologies include Neural Networks (NNs), Graph Neural Networks (GNNs), and Natural Language Processing (NLP). Despite significant promise, widespread adoption is hindered by challenges relating to data quality, model interpretability ("black box" issues), and evolving ethical/regulatory frameworks. AI integration aims to usher in an era of personalized, cost-effective, and safer therapeutics.
Fields of Study & Subjects
Computational Drug Discovery Methods
Artificial Intelligence in Healthcare and Education
Machine Learning in Materials Science
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 1 February 2026
- Language
- EN