Deep learning and artificial intelligence for drug discovery, application, challenge, and future perspectives
This review will examine how artificial intelligence, profound learning technologies, has affected drug discovery. Deep learning technology (DLT), a sub-field of AI that uses intricate algorithms and enormous datasets, is transforming every point along the road to drug development. Integrating clinical trial data, target identification or lead optimization, and personalized medicine have all become possible thanks to DLT. Given the explosion in IUPAC-compliant compounds registered with PubChem or derived from existing ones, DLT has given the pharmaceutical industry a massive booster shot. We will explore the key role generative models play in creating new drug compounds and why interdisciplinary collaboration is essential to entirely using AI's potential for drug discovery. In addition, the purpose of this article is to consider further perspectives concerning what problems exist at present in deep learning and AI-driven drug discovery. We focus on its potential as an accelerated, more effectiveeven tailored healthcare technology. As AI technology advances, a new field emerges in drug development, tipping the global balance between 'well' and 'ill.'
Authors
- Aamir Ali (ORCID: https://orcid.org/0000-0002-6876-693X)
- Hassan Abbas Khan (ORCID: https://orcid.org/0000-0003-2847-9773)
- Nouman Safdar Ali (ORCID: https://orcid.org/0009-0001-1979-7166)
- Mejerrah Aamir
- A. Saleem (ORCID: https://orcid.org/0000-0001-6881-4893)
- Nimra Hanif
- Sadia Zakir
- Adeeba Ali (ORCID: https://orcid.org/0009-0008-8466-3333)
- Asif Khan (ORCID: https://orcid.org/0000-0003-0509-589X)
- Muhammad Waseem (ORCID: https://orcid.org/0000-0001-7135-9529)
- Abdulrehman Saeed
Institutions
- University of Central Punjab (PK)
- University of Education (PK)
Publication Details
- Journal
- Discover Applied Sciences
- Published
- 2025-05-23
- DOI
- https://doi.org/10.1007/s42452-025-06991-6
- Citations
- 17
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 25.57