Artificial Intelligence (AI) For Drug Development And Discovery Market
By Application;
Drug Optimization & Repurposing, Preclinical Testing and OthersBy Therapeutic Area;
Oncology, Neurodegenerative Diseases, Cardiovascular Disease, Metabolic Diseases, Infectious Disease and OthersBy Geography;
North America, Europe, Asia Pacific, Middle East & Africa, and Latin America - Report Timeline (2021 - 2031)Artificial Intelligence For Drug Development And Discovery Market Overview
Artificial Intelligence For Drug Development And Discovery Market (USD Million)
Artificial Intelligence For Drug Development And Discovery Market was valued at USD 2,318.61 million in the year 2024. The size of this market is expected to increase to USD 16,449.26 million by the year 2031, while growing at a Compounded Annual Growth Rate (CAGR) of 32.3%.
Artificial Intelligence (AI) For Drug Development And Discovery Market
*Market size in USD million
CAGR 32.3 %
Study Period | 2025 - 2031 |
---|---|
Base Year | 2024 |
CAGR (%) | 32.3 % |
Market Size (2024) | USD 2,318.61 Million |
Market Size (2031) | USD 16,449.26 Million |
Market Concentration | Low |
Report Pages | 311 |
Major Players
- Alphabet Inc
- Atomwise, Inc
- Benevolent AI
- Cloud Pharmaceutical
- Deep Genomics
- Exscientia
- IBM Corporation
- Insilico Medicine Inc
Market Concentration
Consolidated - Market dominated by 1 - 5 major players
Artificial Intelligence (AI) For Drug Development And Discovery Market
Fragmented - Highly competitive market without dominant players
The Artificial Intelligence For Drug Development And Discovery Market is redefining drug development by accelerating discovery and boosting accuracy. Close to 60% of leading pharma companies now rely on AI-powered platforms to improve molecule identification and streamline trial execution. Through predictive insights and algorithmic modeling, AI is enabling quicker transitions from lab research to clinical success.
Boosting R&D Productivity
AI adoption is driving stronger outcomes in research and development by cutting down both cost and time. Studies reveal that 55% of early R&D teams achieve higher success rates when using AI simulations to test drug candidates. Virtual screening reduces laboratory failures, enabling precision-focused approaches and paving the way for faster and more efficient breakthroughs.
AI Driving Personalized Healthcare
The rise of personalized medicine is being fueled by AI’s ability to interpret genetic and patient-level data. More than 65% of innovators note its effectiveness in identifying biomarkers and aligning therapies to individual needs. By predicting patient responses, AI not only improves therapeutic efficiency but also reduces side effects, elevating overall healthcare standards.
Cutting Costs and Shortening Timelines
A major advantage of AI lies in its ability to lower costs and speed up outcomes. Surveys indicate that half of biotech organizations achieve significant savings by automating data handling, trial monitoring, and candidate optimization with AI tools. The streamlined processes allow faster progression across stages while ensuring reduced financial strain.
Artificial Intelligence (AI) For Drug Development And Discovery Market Key Takeaways
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AI transforms discovery, with advanced models improving molecular interaction predictions and cutting early-stage drug development timelines by nearly 30%.
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Clinical trial automation expands, as AI tools streamline patient recruitment, optimize trial design, and reduce operational costs for developers.
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Personalized medicine advances, supported by AI-powered insights that design targeted therapies and improve patient response rates.
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Collaborations accelerate progress, with pharma companies and AI firms co-developing platforms for faster therapeutic identification and validation.
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Data integration strengthens, as AI unifies genomic, clinical, and real-world data, enhancing decision-making and drug target validation.
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R&D investment rises, with more than 40% of pharmaceutical companies boosting funding into AI-driven solutions for drug development.
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Regulatory recognition grows, as authorities begin acknowledging AI-assisted methodologies in approval processes, encouraging broader adoption.
Artificial Intelligence For Drug Development And Discovery Market Recent Developments
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In 2024, the use of AI-driven tools significantly advanced drug discovery by enhancing predictive models that analyze molecular interactions. These innovations accelerated the identification of promising compounds, enabling researchers to streamline early-stage development and reduce timelines, ultimately improving efficiency and accuracy in the pharmaceutical innovation process.
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In 2022, AI applications transformed clinical trial automation by streamlining patient recruitment and optimizing data management. These advancements enabled drug developers to identify eligible participants faster, cut operational inefficiencies, and significantly reduce trial costs, supporting quicker progression of treatments from research phases to regulatory approval and market readiness.
Segment Analysis
The Global Artificial Intelligence for Drug Development and Discovery Market is segmented by type into Target Identification, Molecule Screening, De Novo Drug Design & Drug Optimization, and Preclinical & Clinical Testing. Each of these segments plays a pivotal role in streamlining the drug development process, leveraging AI's capabilities to enhance efficiency, accuracy, and speed. Target Identification utilizes AI algorithms to identify potential drug targets, paving the way for targeted therapies and personalized medicine. Molecule Screening employs AI-powered platforms to sift through vast datasets, identifying promising drug candidates with desired pharmacological properties. De Novo Drug Design & Drug Optimization harnesses AI's predictive modeling and simulation capabilities to design novel drug molecules and optimize their efficacy, bioavailability, and safety profiles. Preclinical & Clinical Testing leverages AI-driven analytics to expedite the drug testing phase, predicting drug responses, assessing toxicity levels, and optimizing dosing regimens, thereby accelerating the drug discovery timeline and reducing costs.
The market segmentation by indication includes Oncology, Infectious Disease, Neurology, and Others. Oncology stands as a prominent indication, with AI aiding in the identification of novel cancer biomarkers, drug targets, and personalized treatment strategies, revolutionizing cancer care and management. Infectious Disease segment witnesses AI's potential in tracking disease outbreaks, predicting drug resistance patterns, and accelerating the development of antiviral and antibacterial agents. Neurology, another critical indication, benefits from AI-driven insights into neurodegenerative disorders, facilitating early diagnosis, disease progression monitoring, and the development of innovative treatment modalities. The 'Others' category encompasses a diverse range of therapeutic areas, including cardiovascular diseases, metabolic disorders, and autoimmune conditions, where AI plays an increasingly pivotal role in advancing drug discovery and development efforts across various medical disciplines.
The Global Artificial Intelligence for Drug Development and Discovery Market spans across five key regions: North America, Europe, Asia Pacific, Middle East & Africa, and Latin America. North America leads the market landscape, driven by the region's robust technological infrastructure, strong R&D capabilities, and significant investments in AI-driven healthcare innovations. Europe follows suit, with countries like the UK, Germany, and France at the forefront of AI adoption in drug development, leveraging collaborative initiatives and public-private partnerships to drive advancements in therapeutic research. The Asia Pacific region showcases immense growth potential, fueled by the region's burgeoning pharmaceutical industry, rising healthcare expenditure, and increasing focus on precision medicine and personalized healthcare solutions. The Middle East & Africa and Latin America regions present untapped opportunities for AI in drug development, with growing investments in healthcare infrastructure, rising prevalence of chronic diseases, and supportive regulatory frameworks fostering the adoption of AI-driven innovations in drug discovery and therapeutic development.
Global Artificial Intelligence For Drug Development And Discovery Segment Analysis
In this report, the Global Artificial Intelligence For Drug Development And Discovery Market has been segmented by Type, Indication, Application, End Use and Geography.
Global Artificial Intelligence For Drug Development And Discovery Market, By Type
The Global Artificial Intelligence For Drug Development And Discovery Market has been segmented by Type into Target Identification, Molecule Screening, De Novo Drug Design & Drug Optimization, and Preclinical & Clinical Testing.
Target Identification focuses on utilizing AI algorithms to identify potential drug targets within biological systems, enabling researchers to pinpoint specific molecules or proteins that could be targeted to treat various diseases. This segment harnesses the power of machine learning and data analytics to analyze vast datasets, identify disease mechanisms, and prioritize promising targets for further research and development. Molecule Screening, on the other hand, leverages AI to streamline the screening process of potential drug candidates, enhancing the efficiency and accuracy of identifying molecules with therapeutic potential. AI-driven platforms can analyze molecular structures, predict their interactions with biological targets, and prioritize candidates with the highest likelihood of success, thereby reducing the time and resources required for early-stage drug discovery.
De Novo Drug Design & Drug Optimization represents another pivotal segment, where AI technologies are employed to design novel drug molecules from scratch or optimize existing compounds to enhance their efficacy, safety, and pharmacokinetic properties. AI-driven algorithms can generate and evaluate a myriad of potential drug candidates, predict their bioactivity profiles, and guide iterative optimization cycles to develop optimized drug candidates with improved therapeutic profiles. The Preclinical & Clinical Testing segment utilizes AI to facilitate the design, execution, and analysis of preclinical and clinical trials. AI-powered predictive models can simulate drug interactions in biological systems, predict potential side effects, optimize dosing regimens, and identify patient subpopulations most likely to benefit from the new treatments, thereby expediting the drug development process and reducing the associated risks and costs.
Global Artificial Intelligence For Drug Development And Discovery Market, By Indication
The Global Artificial Intelligence For Drug Development And Discovery Market has been segmented by Indication into Oncology, Infectious Disease, Neurology and Others.
Oncology stands out as one of the primary indications where AI has demonstrated significant promise. With the complex nature of cancer and the increasing demand for personalized treatment approaches, AI algorithms are being utilized to analyze vast amounts of genomic data, identify biomarkers, and facilitate targeted therapies. The precision and efficiency offered by AI in oncology not only expedite the drug development process but also contribute to more effective and personalized cancer treatments. Infectious Disease is another crucial segment where AI is making a profound impact. Given the global challenges posed by infectious diseases and pandemics, AI-driven predictive modeling, drug repurposing, and vaccine development are being leveraged to combat these health threats effectively.
Neurology represents a segment with immense potential for AI application, considering the intricacies involved in understanding and treating neurological disorders. AI algorithms are aiding in the analysis of brain imaging data, identification of disease patterns, and development of novel therapeutic interventions for conditions like Alzheimer's disease, Parkinson's disease, and multiple sclerosis. The 'Others' category encompasses a range of indications where AI technologies are being explored and implemented, including cardiovascular diseases, respiratory disorders, and rare diseases.
Global Artificial Intelligence For Drug Development And Discovery Market, By Application
The Global Artificial Intelligence For Drug Development And Discovery Market has been segmented by Application into Novel Drug Candidates, Drug Optimization and Repurposing Preclinical Testing and Approval, Drug Monitoring, Finding New Diseases Associated Targets and Pathways, Understanding Disease Mechanisms, Aggregating and Synthesizing Information, Formation and Qualification of Hypotheses, De Novo Drug Design, Finding Drug Targets of an Old Drug, and Others.
The global artificial intelligence (AI) for drug development and discovery market has been segmented by application into several key areas that highlight the diverse roles of AI in the pharmaceutical industry. One of the prominent applications is in novel drug candidates, where AI plays a crucial role in identifying new compounds with the potential for therapeutic use. Drug optimization and repurposing also benefit from AI technologies, as they enable faster and more efficient refinement of existing drugs or the repositioning of current drugs for new indications.
Another significant application of AI in drug discovery is preclinical testing and approval, where AI algorithms help predict the safety and efficacy of new drugs, reducing the time and cost associated with traditional methods. AI also aids in drug monitoring, allowing for real-time tracking of drug performance during clinical trials. Furthermore, AI-driven tools are used in finding new diseases associated with specific targets and pathways, providing researchers with insights into previously unexplored areas of medical science.
AI contributes to a deeper understanding of disease mechanisms, enabling researchers to better comprehend the molecular basis of diseases and how drugs interact with biological systems. It is also essential for aggregating and synthesizing information from vast datasets, allowing for more informed decision-making in drug development. In addition, AI assists in the formation and qualification of hypotheses, de novo drug design, and finding drug targets for old drugs, ensuring that therapeutic advancements are made through more precise and efficient methods.
Global Artificial Intelligence For Drug Development And Discovery Market, By End Use
The Global Artificial Intelligence For Drug Development And Discovery Market has been segmented by End Use into Contract Research Organizations (CROs), Pharmaceutical and Biotechnology Companies, Research Centers and Academic Institutes, and Others.
The Global Artificial Intelligence for Drug Development and Discovery Market is primarily segmented by end use into Contract Research Organizations (CROs), Pharmaceutical and Biotechnology Companies, Research Centers and Academic Institutes, and others. CROs play a significant role in this market, as they offer AI-powered services to streamline the drug discovery process, optimize clinical trial management, and enhance data analysis. The use of AI by CROs helps reduce time and costs associated with the research and development (R&D) phase, making them a vital part of the growing market.
Pharmaceutical and biotechnology companies are another major end user in the artificial intelligence for drug development and discovery market. These companies increasingly incorporate AI to accelerate the discovery of novel drugs, optimize drug design, and improve clinical outcomes. AI-driven solutions help pharmaceutical companies identify potential drug candidates faster, predict their efficacy, and assess safety profiles, which significantly reduces the overall time to market. The rapid adoption of AI technologies is a key driver for innovation in this sector.
Research centers and academic institutes also represent a significant end-use segment in the market. These organizations utilize AI technologies to enhance the drug discovery process through data analysis, simulation models, and predictive analytics. By integrating AI into their research workflows, academic institutions can generate more accurate insights and advance scientific knowledge. The increasing demand for collaboration between academia and industry further supports the growth of AI applications in drug development. Additionally, other end users, including healthcare providers and government organizations, contribute to the expansion of AI-driven drug discovery through investments and research initiatives.
Global Artificial Intelligence For Drug Development And Discovery Market, By Geography
In this report, the Global Artificial Intelligence For Drug Development And Discovery Market has been segmented by Geography into five regions; North America, Europe, Asia Pacific, Middle East and Africa and Latin America.
Global Artificial Intelligence For Drug Development And Discovery Market Share (%), by Geographical Region, 2024
North America stands as a frontrunner in the adoption of AI for drug development and discovery, with the region being home to several leading pharmaceutical and biotechnology companies at the forefront of AI innovation. The robust technological infrastructure, coupled with substantial investments in research and development, has propelled the advancement of AI-driven solutions in drug design, molecular modeling, and clinical trials optimization. Europe, with its strong regulatory framework and collaborative research ecosystem, is also witnessing significant strides in leveraging AI to accelerate the drug discovery process. Countries like the UK, Germany, and France are investing heavily in AI-based platforms to enhance drug efficacy, reduce development costs, and expedite time-to-market for new therapies.
The Asia Pacific region presents immense growth opportunities for AI in drug development and discovery, driven by the increasing prevalence of chronic diseases, growing healthcare expenditure, and the rise of biotech startups focusing on AI-driven innovations. Countries such as China, India, and Japan are emerging as key players in this space, leveraging AI technologies to facilitate precision medicine, identify novel drug targets, and streamline clinical trial processes. The Middle East and Africa region, although in the nascent stages of AI adoption in healthcare, is witnessing growing investments and collaborations aimed at harnessing AI's potential to address the region's unique healthcare challenges. Latin America, with its expanding pharmaceutical industry and increasing focus on research and development, is poised to embrace AI-driven approaches to drug discovery, paving the way for groundbreaking innovations in the field of healthcare.
Artificial Intelligence (AI) For Drug Development And Discovery Market Forces
This report provides an in depth analysis of various factors that impact the dynamics of Global Artificial Intelligence For Drug Development And Discovery Market. These factors include; Market Drivers, Restraints and Opportunities Analysis.
Comprehensive Market Impact Matrix
This matrix outlines how core market forces—Drivers, Restraints, and Opportunities—affect key business dimensions including Growth, Competition, Customer Behavior, Regulation, and Innovation.
Market Forces ↓ / Impact Areas → | Market Growth Rate | Competitive Landscape | Customer Behavior | Regulatory Influence | Innovation Potential |
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Drivers | High impact (e.g., tech adoption, rising demand) | Encourages new entrants and fosters expansion | Increases usage and enhances demand elasticity | Often aligns with progressive policy trends | Fuels R&D initiatives and product development |
Restraints | Slows growth (e.g., high costs, supply chain issues) | Raises entry barriers and may drive market consolidation | Deters consumption due to friction or low awareness | Introduces compliance hurdles and regulatory risks | Limits innovation appetite and risk tolerance |
Opportunities | Unlocks new segments or untapped geographies | Creates white space for innovation and M&A | Opens new use cases and shifts consumer preferences | Policy shifts may offer strategic advantages | Sparks disruptive innovation and strategic alliances |
Drivers, Restraints and Opportunity Analysis
Drivers:
- Increasing prevalence of chronic diseases
- Rising healthcare expenditure
- Expedited drug development timelines with AI
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Enhanced accuracy in drug design and molecular modeling - Enhanced accuracy in drug design and molecular modeling stands as a pivotal advancement in the Artificial Intelligence For Drug Development And Discovery Market. With the integration of advanced AI algorithms and machine learning techniques, researchers and scientists can now simulate complex biological processes with unprecedented precision. This enhanced accuracy allows for the rapid identification and optimization of potential drug candidates, significantly reducing the time and resources traditionally required for drug discovery.
AI-driven molecular modeling enables a deeper understanding of the interactions between drugs and biological targets at the molecular level. This intricate analysis facilitates the design of more effective and targeted therapies, minimizing off-target effects and enhancing therapeutic outcomes. By leveraging AI in drug design and molecular modeling, pharmaceutical companies can expedite the development of novel treatments, address unmet medical needs, and pave the way for innovative healthcare solutions that can transform patient care.
Restraints:
- Complex regulatory landscape in healthcare
- Lack of skilled professionals in AI and drug development
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Integration challenges with existing pharmaceutical systems - Integration challenges with existing pharmaceutical systems pose a significant hurdle in the adoption and seamless implementation of artificial intelligence (AI) for drug development and discovery. Pharmaceutical companies often operate on legacy systems that have been in place for years, making them complex and rigid. These systems may not be designed to easily incorporate AI technologies, requiring extensive modifications or complete overhauls to enable compatibility.
The diversity and specificity of pharmaceutical data, ranging from molecular structures to clinical trial results, present additional complexities. Integrating AI solutions into these heterogeneous data environments demands sophisticated data management and processing capabilities. Issues related to data quality, standardization, and interoperability can further complicate integration efforts, potentially leading to delays and increased costs.
Opportunities:
- Integration of AI with other technologies like IoT and big data
- Adoption of AI for real-time data analysis in clinical trials
- Potential for AI in predicting drug interactions and side effects
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Enhancing research efficiency through AI automation - Enhancing research efficiency through AI automation is a pivotal factor driving the growth and innovation within the Artificial Intelligence For Drug Development And Discovery Market. AI-powered automation streamlines various aspects of the drug discovery process, from data collection and analysis to hypothesis generation and validation. This automation not only accelerates the pace of research but also ensures more accurate and reliable results, thereby reducing the time and resources traditionally required for drug development.
AI automation enables researchers to handle vast amounts of complex biological data efficiently. By utilizing machine learning algorithms and predictive analytics, AI systems can identify patterns, predict outcomes, and prioritize experiments, allowing researchers to focus on more critical tasks. This enhanced efficiency not only fosters innovation but also facilitates the discovery of novel drug candidates and potential therapeutic targets, positioning AI as a transformative force in reshaping the future of drug development and discovery.
Artificial Intelligence (AI) For Drug Development And Discovery Market Competitive Landscape Analysis
Artificial Intelligence (AI) For Drug Development And Discovery Market is marked by strong competition as leading players pursue advanced strategies to gain share. With over 40% of stakeholders investing in collaboration and partnerships, the sector demonstrates rapid growth supported by innovation-focused mergers. The increasing reliance on predictive analytics strengthens competitive positioning across this transformative industry.
Market Structure and Concentration
The market reflects moderate to high concentration, with nearly 55% of revenues generated by top vendors. Strategic expansion and cross-industry collaboration reinforce dominance among established players. Smaller companies compete through niche innovation while alliances allow larger entities to diversify applications. This structure emphasizes a balance between consolidation and disruptive entry.
Brand and Channel Strategies
Companies focus on differentiated strategies to enhance brand visibility, with almost 48% prioritizing specialized partnerships for distribution. Digital-first channels have become pivotal for driving adoption, supported by strategic collaboration with research institutions. Multichannel approaches ensure sustainable growth while aligning with evolving demands of pharmaceutical ecosystems.
Innovation Drivers and Technological Advancements
More than 60% of market participants allocate resources toward technological advancements, particularly in machine learning and automation. R&D innovation accelerates drug candidate identification, with predictive models reducing costs by nearly 25%. Such emphasis on strategies fosters competitive resilience, enabling players to establish leadership in transforming discovery frameworks.
Regional Momentum and Expansion
Around 52% of investments are directed toward expansion in emerging regions, where adoption rates outpace mature markets. Regional players form partnerships with firms to accelerate growth and leverage advanced analytics. Concentrated strategies in these areas highlight the rising significance of regional ecosystems for accelerating adoption and scaling solutions.
Future Outlook
By 2030, over 65% of stakeholders expect accelerated growth driven by adaptive innovation and AI-driven efficiencies. Long-term strategies emphasize sustained collaboration and merger activities to strengthen industry presence. This future outlook suggests a competitive environment where technological advancements and regional expansion remain central to shaping progress in the market.
Key players in Artificial Intelligence For Drug Development And Discovery Market include:
- Exscientia
- Insilico Medicine
- BenevolentAI
- Atomwise
- Recursion Pharmaceuticals
- Aitia
- Isomorphic Labs (Alphabet)
- Deep Genomics
- insitro
- Valo Health
- Verge Genomics
- BioXcel Therapeutics
- Peptilogics
- Auransa
- Ardigen
In this report, the profile of each market player provides following information:
- Company Overview and Product Portfolio
- Market Share Analysis
- Key Developments
- Financial Overview
- Strategies
- Company SWOT Analysis
- Introduction
- Research Objectives and Assumptions
- Research Methodology
- Abbreviations
- Market Definition & Study Scope
- Executive Summary
- Market Snapshot, By Application
- Market Snapshot, By Therapeutic Area
- Market Snapshot, By Region
- Artificial Intelligence For Drug Development And Discovery Market Dynamics
- Drivers, Restraints and Opportunities
- Drivers
- Increasing prevalence of chronic diseases
- Rising healthcare expenditure globally
- Expedited drug development timelines with AI
- Enhanced accuracy in drug design and molecular modeling
- Restraints
- Complex regulatory landscape in healthcare
- Lack of skilled professionals in AI and drug development
- Integration challenges with existing pharmaceutical systems
- Opportunities
- Integration of AI with other technologies like IoT and big data
- Adoption of AI for real-time data analysis in clinical trials
- Potential for AI in predicting drug interactions and side effects
- Enhancing research efficiency through AI automation
- Drivers
- PEST Analysis
- Political Analysis
- Economic Analysis
- Social Analysis
- Technological Analysis
- Porter's Analysis
- Bargaining Power of Suppliers
- Bargaining Power of Buyers
- Threat of Substitutes
- Threat of New Entrants
- Competitive Rivalry
- Drivers, Restraints and Opportunities
- Market Segmentation
- Artificial Intelligence (AI) For Drug Development And Discovery Market, By Application, 2021 - 2031 (USD Million)
- Drug Optimization & Repurposing
- Preclinical Testing
- Others
- Artificial Intelligence (AI) For Drug Development And Discovery Market, By Therapeutic Area, 2021 - 2031 (USD Million)
- Oncology
- Neurodegenerative Diseases
- Cardiovascular Disease
- Metabolic Diseases
- Infectious Disease
- Others
- Artificial Intelligence For Drug Development And Discovery Market, By Geography, 2021 - 2031 (USD Million)
- North America
- United States
- Canada
- Europe
- Germany
- United Kingdom
- France
- Italy
- Spain
- Nordic
- Benelux
- Rest of Europe
- Asia Pacific
- Japan
- China
- India
- Australia & New Zealand
- South Korea
- ASEAN (Association of South East Asian Countries)
- Rest of Asia Pacific
- Middle East & Africa
- GCC
- Israel
- South Africa
- Rest of Middle East & Africa
- Latin America
- Brazil
- Mexico
- Argentina
- Rest of Latin America
- North America
- Artificial Intelligence (AI) For Drug Development And Discovery Market, By Application, 2021 - 2031 (USD Million)
- Competitive Landscape Analysis
- Company Profiles
- Exscientia
- Insilico Medicine
- BenevolentAI
- Atomwise
- Recursion Pharmaceuticals
- Aitia
- Isomorphic Labs (Alphabet)
- Deep Genomics
- insitro
- Valo Health
- Verge Genomics
- BioXcel Therapeutics
- Peptilogics
- Auransa
- Ardigen
- Company Profiles
- Analyst Views
- Future Outlook of the Market