Artificial Intelligence in Drug Discovery and Development: A Comprehensive Review

Abstract Drug research has made significant strides with the integration of artificial intelligence (AI), particularly through machine learning (ML). AI serves as a powerful tool in bridging the gap between potential therapeutic compounds and the complex understanding of diseases, accelerating the discovery and development of new treatments. Drug discovery is undergoing a rapid transformation driven by artificial intelligence (AI), which significantly enhances the accuracy, efficiency, and speed of the entire process. Traditionally time-consuming and resource-intensive, pharmaceutical research is now being streamlined through AI technologies. The development of modern medicine-one of the greatest achievements in translational science, continues to advance human health and quality of life. The integration of vast, well-curated datasets, increased computational power, and scalable cloud infrastructure fuels this transformation. Together, these tools have ushered in a new era of AI-assisted drug development, enabling researchers to identify patterns, predict outcomes, and optimize workflows with greater precision and speed than ever before. This review provides a comprehensive summary of the latest advancements in artificial intelligence and their application in drug discovery. Key point- artificial intelligence, machine learning, drug discovery, virtual screening

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-06-21
DOI
https://doi.org/10.5281/zenodo.15710355
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

Artificial Intelligence in Drug Discovery and Development: A Comprehensive Review

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

Artificial Intelligence in Drug Discovery and Development: A Comprehensive Review

article en

Abstract

Abstract Drug research has made significant strides with the integration of artificial intelligence (AI), particularly through machine learning (ML). AI serves as a powerful tool in bridging the gap between potential therapeutic compounds and the complex understanding of diseases, accelerating the discovery and development of new treatments. Drug discovery is undergoing a rapid transformation driven by artificial intelligence (AI), which significantly enhances the accuracy, efficiency, and speed of the entire process. Traditionally time-consuming and resource-intensive, pharmaceutical research is now being streamlined through AI technologies. The development of modern medicine-one of the greatest achievements in translational science, continues to advance human health and quality of life. The integration of vast, well-curated datasets, increased computational power, and scalable cloud infrastructure fuels this transformation. Together, these tools have ushered in a new era of AI-assisted drug development, enabling researchers to identify patterns, predict outcomes, and optimize workflows with greater precision and speed than ever before. This review provides a comprehensive summary of the latest advancements in artificial intelligence and their application in drug discovery. Key point- artificial intelligence, machine learning, drug discovery, virtual screening

Zenodo (CERN European Organization for Nuclear Research)
Bhagwant University (IN)
Industry, innovation and infrastructure
Openalex Percentile: Top 58%
Computational Drug Discovery Methods
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