Artificial intelligence in drug discovery and development

Artificial Intelligence (AI) has emerged as a transformative force in drug discovery and development, addressing challenges such as high costs, lengthy timelines, and frequent failures in pharmaceutical research. AI-driven approaches, including machine learning, deep learning, and bioinformatics, are revolutionizing various stages of the drug development process—from target identification and lead optimization to clinical trials and regulatory approval. AI enhances drug bioactivity prediction, facilitates personalized medicine, and streamlines clinical trial recruitment, improving efficiency and accuracy. Leading pharmaceutical companies are integrating AI to accelerate innovation and optimize therapeutic outcomes. Despite its vast potential, AI in drug discovery faces challenges such as data privacy, algorithmic bias, and regulatory hurdles. This review explores AI's applications, benefits, limitations, and future prospects in pharmaceutical research, highlighting its role in reshaping modern medicine.

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-03-24
DOI
https://doi.org/10.5281/zenodo.15078082
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
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article

Artificial intelligence in drug discovery and development

Zenodo (CERN European Organization for Nuclear Research)
Computational Drug Discovery Methods
article

Artificial intelligence in drug discovery and development

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Abstract

Artificial Intelligence (AI) has emerged as a transformative force in drug discovery and development, addressing challenges such as high costs, lengthy timelines, and frequent failures in pharmaceutical research. AI-driven approaches, including machine learning, deep learning, and bioinformatics, are revolutionizing various stages of the drug development process—from target identification and lead optimization to clinical trials and regulatory approval. AI enhances drug bioactivity prediction, facilitates personalized medicine, and streamlines clinical trial recruitment, improving efficiency and accuracy. Leading pharmaceutical companies are integrating AI to accelerate innovation and optimize therapeutic outcomes. Despite its vast potential, AI in drug discovery faces challenges such as data privacy, algorithmic bias, and regulatory hurdles. This review explores AI's applications, benefits, limitations, and future prospects in pharmaceutical research, highlighting its role in reshaping modern medicine.

Zenodo (CERN European Organization for Nuclear Research)
Industry, innovation and infrastructure
Openalex Percentile: Top 52%
Computational Drug Discovery Methods
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