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Artificial Intelligence for Drug Discovery Market Size to Reach USD 19.12 Billion by 2033 growing at 27.4% CAGR - Exclusive Report by Acumen Research and Consulting

15 Apr 2025
Healthcare and Pharmaceuticals

Artificial Intelligence for Drug Discovery market, valued at USD 2.19 Billion in 2024, is projected to surpass USD 19.12 Billion by 2033, indicating a robust CAGR of 27.4%

Artificial intelligence (AI) for drug discovery entails employing AI technologies like machine learning, deep learning, and natural language processing to speed up and optimize drug development. AI aids in the analysis of large datasets, prediction of molecular interactions, identification of drug candidates, and streamlining clinical trials, all of which save time and money in pharmaceutical research. It is essential for target identification, lead optimization, and drug repurposing, all of which improve drug discovery efficiency.

Additionally, Exscientia plc teamed with Amazon Web Services (AWS) in July 2024 to improve its drug discovery and automation platform by leveraging AI and machine learning capabilities. This partnership improves efficiency, scalability, and automation in AI-powered drug development. By increasing AI integration in pharmaceuticals, the cooperation creates new growth potential in the artificial intelligence in drug discovery market.

Artificial Intelligence for Drug Discovery Market Statistics

  • The global artificial intelligence for drug discovery market is valued at USD 2.19 billion in 2024 and is expected to grow at a CAGR of over 27.4% from 2025 to 2033
  • North America dominates the market, generating USD 1.23 billion in revenue in 2024
  • The Asia-Pacific market is forecasted to expand at a CAGR of 29.2% from 2025 to 2033
  • Oncology as a therapeutic area accounted for 23% of the market share in 2024
  • A discernible trend in the artificial intelligence for drug discovery market is integration of generative Ai in workforce training

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Artificial Intelligence for Drug Discovery Market Dynamics

Improved Predictive Modeling and Drug-Target Interactions Fuels the Artificial Intelligence for Drug Discovery Market Value

Improved predictive modeling and drug-target interaction analysis are important drivers of growth in the AI in drug discovery market. AI-powered algorithms can examine massive biological datasets and accurately anticipate how prospective therapeutic molecules interact with disease targets. This improves early-stage drug development by decreasing the time and expenses associated with standard trial-and-error techniques.

Advanced machine learning algorithms enhance hit detection, lead optimization, and toxicity prediction, hence enhancing drug development success rates. As AI technology advances, its capacity to optimize drug-target interactions will boost innovation and efficiency in pharmaceutical research.

Increased Alliances between AI Firms, Pharma Companies, And Research Institutions Offer Significant Artificial Intelligence for Drug Discovery Market Opportunity

The growing collaboration between AI enterprises, pharmaceutical corporations, and research institutes creates huge prospects in the AI in drug discovery market. For example, in September 2022, CytoReason, an Israeli biology modeling company, signed a USD 110 million agreement with Pfizer. Pfizer used CytoReason's biological models in research, hoping to create new treatments for immune-mediated disorders including cancer immunotherapies.

AI-driven efficiencies help pharmaceutical businesses save money and time on clinical trials and new drug development. Research institutes make groundbreaking discoveries, while AI corporations use advanced analytics to optimize medicine design. Such collaborations will promote innovation, broaden AI usage, and transform the future of drug discovery.

Artificial Intelligence for Drug Discovery Market Segmentation

The global market for artificial intelligence for drug discovery has been segmented into drug type, technology, therapeutic area, application, end-users, and region.

  • Drug type is classified into small molecule, and large molecule
  • Technology are divided into machine learning (deep learning, supervised learning, reinforcement learning, unsupervised learning, other machine learning technologies), and other technologies
  • Therapeutic area are categorized into metabolic disease, cardiovascular diseases, oncology, neurodegenerative diseases, and others
  • Application are classified into molecular library screening, target identification, drug optimization and repurposing, de novo drug designing, and preclinical testing
  • End-user are sub-segmented into pharmaceutical & biotechnological companies, academic & research institutes, contract research organizations, and others
  • The artificial intelligence for drug discovery market is geographically split into Europe, North America, Latin America, APAC, and the Middle East and Africa

Artificial Intelligence for Drug Discovery Market Regional Outlook

In terms of artificial intelligence for drug discovery market analysis, North America dominates because of its robust pharmaceutical sector, superior healthcare infrastructure, and major investment in AI research. Government initiatives and financing from organizations such as the National Institutes of Health (NIH) further promote innovation. For example, the National Institutes of Health intends to invest $130 million over four years, subject to funding availability, to accelerate the widespread use of artificial intelligence (AI) in biomedical and behavioral research. Furthermore, agreements between IT giants and pharmaceutical industries improve AI usage in drug discovery.

Asia-Pacific is experiencing rapid growth in artificial intelligence in drug discovery market as governments and the business sector spend more in biotechnology and AI. Countries such as China, India, and Japan are developing AI-driven research institutes and encouraging collaborations between academics and industry. Furthermore, supporting regulatory regulations and increased demand for novel medications are driving AI for drug discovery market growth.

Artificial Intelligence for Drug Discovery Market Players

Artificial Intelligence for Drug Discovery companies profiled in the report includes NuMedii, Inc., Insilico Medicine, Cloud Pharmaceuticals, Inc., twoXAR, BIOAGE, Envisagenics, BenevolentAI, Atomwise, Inc., Numerate, and Exscientia.

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Artificial Intelligence for Drug Discovery Market Key Insights

Parameter

Details

Size in 2024

USD 2.19 Billion

Forecast by 2033

USD 19.12 Billion

CAGR During 2025 - 2033

27.4%

Largest Application Segment

(% share 2024)

Drug Optimization and Repurposing– 51%

Largest Region Size (2024)

North America - USD 1.23 Billion

Fastest Growing Region (% CAGR)

Asia-Pacific– 29.2%

Key Players Covered

NuMedii, Inc., Insilico Medicine, Cloud Pharmaceuticals, Inc., twoXAR, BIOAGE, Envisagenics, BenevolentAI, Atomwise, Inc., Numerate, Exscientia.

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Mr. Richard Johnson

Acumen Research and Consulting

India: +91 8983225533

E-mail: [email protected]

Acumen Research and Consulting

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