AI for Drug Discovery Market Analysis, Size, Share, and Forecast by 2031

Historic Data: 2021-2023   |   Base Year: 2024   |   Forecast Period: 2025-2031

Coverage: AI for Drug Discovery Market covers analysis By Drug Type (Small Molecule, Large Molecules); Technology (Deep Learning, Machine Learning); Application (Metabolic Disease, Cardiovascular Disease, Oncology, Neurodegenerative Diseases, Others); End User (Pharmaceutical and Biotechnological Companies, Academic and Research Institutes, Others) , and Geography (North America, Europe, Asia Pacific, and South and Central America)

  • Report Date : Sep 2025
  • Report Code : TIPRE00004177
  • Category : Technology, Media and Telecommunications
  • Status : Upcoming
  • Available Report Formats : pdf-format excel-format
  • No. of Pages : 150

The AI for Drug Discovery Market is expected to register a CAGR of 23.7% from 2025 to 2031, with a market size expanding from US$ XX million in 2024 to US$ XX Million by 2031.

The report is segmented by Drug Type (Small Molecule, Large Molecules); Technology (Deep Learning, Machine Learning, Others); Therapeutic Area (Metabolic Disease, Cardiovascular Disease, Oncology, Neurodegenerative Diseases, Others); End User (Pharmaceutical and Biotechnological Companies, Academic and Research Institutes, Others). The global analysis is further broken-down at regional level and major countries. The report offers the value in USD for the above analysis and segments

Purpose of the Report

The report AI for Drug Discovery Market by The Insight Partners aims to describe the present landscape and future growth, top driving factors, challenges, and opportunities. This will provide insights to various business stakeholders, such as:

  • Technology Providers/Manufacturers: To understand the evolving market dynamics and know the potential growth opportunities, enabling them to make informed strategic decisions.
  • Investors: To conduct a comprehensive trend analysis regarding the market growth rate, market financial projections, and opportunities that exist across the value chain.
  • Regulatory bodies: To regulate policies and police activities in the market with the aim of minimizing abuse, preserving investor trust and confidence, and upholding the integrity and stability of the market.

AI for Drug Discovery Market Segmentation

Drug Type

  • Small Molecule
  • Large Molecules

Technology

  • Deep Learning
  • Machine Learning

Therapeutic Area

  • Metabolic Disease
  • Cardiovascular Disease
  • Oncology
  • Neurodegenerative Diseases

End User

  • Pharmaceutical and Biotechnological Companies
  • Academic and Research Institutes

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AI for Drug Discovery Market: Strategic Insights

ai-for-drug-discovery-market
  • Get Top Key Market Trends of this report.
    This FREE sample will include data analysis, ranging from market trends to estimates and forecasts.

AI for Drug Discovery Market Growth Drivers

  • R&D in the Drug Discovery: There has been a rapid investment in the drug discovery. This factor drives the adoption of advanced technology required for efficient drug discovery. AI streamlines the drug discovery procedure. It helps researchers to use machine learning algorithms to detect molecules, among billions of options, that might have the properties they are seeking to develop new medicines.
  • Personalized Medicine and Targeted Therapies: AI's ability to analyze large datasets and identify patterns in genetic, molecular, and clinical information is enabling the development of personalized medicine. This approach allows for the creation of targeted therapies that are tailored to the genetic makeup of individual patients or specific subpopulations. As the demand for precision medicine grows, AI is playing a critical role in discovering new drug candidates that address unmet medical needs and enhance the effectiveness of treatments for complex diseases like cancer and rare genetic disorders.
  • Advancements in Computational Chemistry and Drug Design: AI-powered tools are transforming computational chemistry and drug design by simulating molecular interactions, predicting compound properties, and identifying promising drug candidates more accurately. AI can model and optimize drug molecules at a faster pace, identifying new chemical entities that might otherwise have been overlooked. The ability to rapidly test virtual drug compounds using AI-driven simulations is accelerating drug development timelines, making it a crucial factor in the growth of the AI-driven drug discovery market.

AI for Drug Discovery Market Future Trends

  • Focus on the cost-effective solution: The demand for AI tools that can rapidly and cost-effectively discover drugs will gain traction in the coming years. This factor will encourage the market players to develop cost-effective drug discovery solutions. For example, in June 2024, Australian researchers led by Monash University developed a new AI tool that improves scientists' ability to identify potential new medicines.
  • Government investment in AI for healthcare: Government investment in AI technology, specifically for the healthcare sector, will drive the market. Such investment by the government to improve the healthcare facilities and to modernize the old & traditional drug discovery methods will fuel the market growth in the coming years.

AI for Drug Discovery Market Opportunities

  • Growing Pharmaceutical Industry: The rise in demand for healthcare products, coupled with the growing population, is fueling the pharmaceutical industry. The growing pharmaceutical industry demands various computers and mathematical models for the designing of drugs, which can create opportunities for the use of AI technology in drug discovery.
  • Investment in Digital Health: Government support, such as Australia’s Digital Health Cooperative Research Centre (DHCRC), continued to focus on and investment in digital health, fostering the adoption of digital solutions in the healthcare industry. The government's focus on healthcare IT can create a huge opportunity for market growth.

AI for Drug Discovery Market Regional Insights

The regional trends and factors influencing the AI for Drug Discovery Market throughout the forecast period have been thoroughly explained by the analysts at The Insight Partners. This section also discusses AI for Drug Discovery Market segments and geography across North America, Europe, Asia Pacific, Middle East and Africa, and South and Central America.

ai-for-drug-discovery-market-global-geography
  • Get the Regional Specific Data for AI for Drug Discovery Market

AI for Drug Discovery Market Report Scope

Report Attribute Details
Market size in 2024 US$ XX million
Market Size by 2031 US$ XX Million
Global CAGR (2025 - 2031) 23.7%
Historical Data 2021-2023
Forecast period 2025-2031
Segments Covered By Drug Type
  • Small Molecule
  • Large Molecules
By Technology
  • Deep Learning
  • Machine Learning
By Therapeutic Area
  • Metabolic Disease
  • Cardiovascular Disease
  • Oncology
  • Neurodegenerative Diseases
By End User
  • Pharmaceutical and Biotechnological Companies
  • Academic and Research Institutes
Regions and Countries Covered North America
  • US
  • Canada
  • Mexico
Europe
  • UK
  • Germany
  • France
  • Russia
  • Italy
  • Rest of Europe
Asia-Pacific
  • China
  • India
  • Japan
  • Australia
  • Rest of Asia-Pacific
South and Central America
  • Brazil
  • Argentina
  • Rest of South and Central America
Middle East and Africa
  • South Africa
  • Saudi Arabia
  • UAE
  • Rest of Middle East and Africa
Market leaders and key company profiles
  • IBM Watson
  • Exscientia
  • Benevolent AI
  • NVIDIA Corporation
  • Euretos
  • BPGbio Inc.
  • Owkin Inc
  • Cyclica
  • Merck KGaA

  • AI for Drug Discovery Market Players Density: Understanding Its Impact on Business Dynamics

    The AI for Drug Discovery Market is growing rapidly, driven by increasing end-user demand due to factors such as evolving consumer preferences, technological advancements, and greater awareness of the product's benefits. As demand rises, businesses are expanding their offerings, innovating to meet consumer needs, and capitalizing on emerging trends, which further fuels market growth.

    Market players density refers to the distribution of firms or companies operating within a particular market or industry. It indicates how many competitors (market players) are present in a given market space relative to its size or total market value.

    Major Companies operating in the AI for Drug Discovery Market are:

    1. IBM Watson
    2. Exscientia
    3. Benevolent AI
    4. NVIDIA Corporation
    5. Euretos

    Disclaimer: The companies listed above are not ranked in any particular order.


    ai-for-drug-discovery-market-cagr

    • Get the AI for Drug Discovery Market top key players overview

    Key Selling Points

    • Comprehensive Coverage: The report comprehensively covers the analysis of products, services, types, and end users of the AI for Drug Discovery Market, providing a holistic landscape.
    • Expert Analysis: The report is compiled based on the in-depth understanding of industry experts and analysts.
    • Up-to-date Information: The report assures business relevance due to its coverage of recent information and data trends.
    • Customization Options: This report can be customized to cater to specific client requirements and suit the business strategies aptly.

    The research report on the AI for Drug Discovery Market can, therefore, help spearhead the trail of decoding and understanding the industry scenario and growth prospects. Although there can be a few valid concerns, the overall benefits of this report tend to outweigh the disadvantages.


    Frequently Asked Questions

    What are the options available for the customization of this report?

    Some of the customization options available based on the request are an additional 3–5 company profiles and country-specific analysis of 3–5 countries of your choice. Customizations are to be requested/discussed before making final order confirmation#as our team would review the same and check the feasibility

    What are the deliverable formats of the emotion AI software market report?

    The report can be delivered in PDF/PPT format; we can also share excel dataset based on the request

    What are the driving factors impacting the global AI for Drug Discovery Market?

    R&D in the drug discovery and researchers use XAI are the major factors driving the AI for Drug Discovery Market

    What are the future trends of the AI for Drug Discovery Market?

    Focus on the cost-effective solution and government investment in AI for healthcare is anticipated to play a significant role in the global AI for Drug Discovery Market in the coming years

    What is the expected CAGR of the AI for Drug Discovery Market?

    The AI for Drug Discovery Market is estimated to witness a CAGR of 23.7% from 2024 to 2031

    Ankita Mittal
    Ankita Mittal
    Manager,
    Market Research & Consulting

    Ankita is a dynamic market research and consulting professional with over 8 years of experience across the technology, media, ICT, and electronics & semiconductor sectors. She has successfully led and delivered 100+ consulting and research assignments for global clients such as Microsoft, Oracle, NEC Corporation, SAP, KPMG, and Expeditors International. Her core competencies include market assessment, data analysis, forecasting, strategy formulation, competitive intelligence, and report writing.

    Ankita is adept at handling complete project cycles—from pre-sales proposal design and client discussions to post-sales delivery of actionable insights. She is skilled in managing cross-functional teams, structuring complex research modules, and aligning solutions with client-specific business goals. Her excellent communication, leadership, and presentation abilities have enabled her to consistently deliver value-driven outcomes in fast-paced and evolving market environments.

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    The List of Companies

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    2. Insilico Medicine
    3. BIOAGE
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    5. NuMedii, Inc.
    6. Envisagenics
    7. Cloud Pharmaceuticals, Inc
    8. BenevolentAI
    9. Aria Pharmaceuticals, Inc
    10. Gero.ai
    11. NVIDIA Corporation
    12. Owkin, Inc.
    13. Xtalpi, Inc.
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