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.'

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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
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article

Deep learning and artificial intelligence for drug discovery, application, challenge, and future perspectives

Aamir Ali, Hassan Abbas Khan, Nouman Safdar Ali, Mejerrah Aamir et al.
17 citations
Discover Applied Sciences
Computational Drug Discovery Methods
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Deep learning and artificial intelligence for drug discovery, application, challenge, and future perspectives

Aamir Ali, Hassan Abbas Khan, Nouman Safdar Ali, Mejerrah Aamir, A. Saleem, Nimra Hanif, Sadia Zakir, Adeeba Ali, Asif Khan, Muhammad Waseem, Abdulrehman Saeed
article en
17 citations

Abstract

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.'

Discover Applied SciencesVol. 7(6)
University of Central Punjab (PK), University of Education (PK)
Openalex Percentile: Top 0%
Computational Drug Discovery Methods
25.57
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