Advancing drug discovery via artificial intelligence
Open accessAbstract
Drug discovery and development are among the most important translational science activities that contribute to human health and wellbeing. However, the development of a new drug is a very complex, expensive, and long process which typically costs 2.6 billion USD and takes 12 years on average. How to decrease the costs and speed up new drug discovery has become a challenging and urgent question in industry. Artificial intelligence (AI) combined with new experimental technologies is expected to make the hunt for new pharmaceuticals quicker, cheaper, and more effective. We discuss here emerging applications of AI to improve the drug discovery process.
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Deep learning has been employed to facilitate drug discovery.
“facilitate drug discovery [10]”
From Challenges in AI-driven Biomedical Multimodal Data Fusion and Analysis (2025) · cites this paper as [10]
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- Authors
- Chan, H. C. S., Shan, H., Dahoun, T., Vogel, H., & Yuan, S.
- Affiliations
- Chinese Academy of Sciences (CN)
- Shanghai Institute of Pharmaceutical Industry (CN)
- École Polytechnique Fédérale de Lausanne (CH)
- Corresponding author
- Yuan, Shuguang
- Venue
- Trends in Pharmacological Sciences
- Publisher
- Elsevier BV
- Published
- 2019-08
- Volume
- 40
- Issue
- 8
- Pages
- 592-604
- ISSN
- 0165-6147 (ISSN-L)
- OpenAlex
- W2962398326
- Cited by
- 654
- References
- 7
- Citations by year
- 2026: 54 · 2025: 94 · 2024: 131 · 2023: 157 · 2022: 82 · 2021: 95 · 2020: 36 · 2019: 5
- FWCI
- 4.53
- Type
- journal article
- Language
- en
- Update notices
- erratum (2019-10-01)
- Open access
- green
- infoscience.epfl.ch
- Licence
- Locations
- Trends in Pharmacological Sciences (publishedVersion)
- PubMed (publishedVersion)
- Infoscience (Ecole Polytechnique Fédérale de Lausanne) (submittedVersion, cc-by-nc-nd)
- Funders
- Interdisciplinary Centre for Mathematical and Computational Modelling in Warsaw (GB71–3, GB70-3)
- European Community (FP7-KBBE-2013-613879)
- Topics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Health Sciences › Medicine › Health Informatics › Artificial Intelligence in Healthcare and Education
- Keywords
- artificial intelligence, drug discovery, drug development costs, translational research, pharmaceuticals
- MeSH terms
- Animals, Artificial Intelligence, Pharmaceutical Preparations, Humans, Pharmacology, Quantitative Structure-Activity Relationship, Drug Discovery, Translational Research, Biomedical
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