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Cheminformatics Market Research Report Information By Application (Chemical Analysis, Drug Discovery, Drug Validation, Others) And By Region (North America, Europe, Asia-Pacific, And Rest Of The World) –Market Forecast Till 2034


ID: MRFR/HC/10032-HCR | 128 Pages | Author: Rahul Gotadki| August 2025

Cheminformatics Market Summary

As per Market Research Future analysis, the Cheminformatics Market was valued at 7.34 USD Billion in 2024 and is projected to grow from 8.47 USD Billion in 2025 to 31.05 USD Billion by 2034, reflecting a CAGR of 15.52% during the forecast period. The market is driven by rising demands for efficient drug discovery processes, increased R&D spending, and the growing awareness of personalized medicine. Cheminformatics integrates computational methods to streamline drug development, significantly reducing costs and time associated with traditional methods. The North American market leads in revenue, followed by Europe and Asia-Pacific, with significant growth expected in the latter due to advancements in AI and digitalization in healthcare.

Key Market Trends & Highlights

Key trends driving the Cheminformatics Market include advancements in technology and increasing demand for drug discovery.

  • Cheminformatics Market Size in 2024: 7.34 USD Billion.
  • Projected Market Size by 2034: 31.05 USD Billion.
  • Fastest Growing Application Segment: Drug Discovery.
  • North America Cheminformatics Market Value in 2022: 2.51 USD Billion.

Market Size & Forecast

2024 Market Size: USD 7.34 Billion
2025 Market Size: USD 8.47 Billion
2034 Market Size: USD 31.05 Billion
CAGR (2025-2034): 15.52%
Largest Regional Market Share in 2022: North America.

Major Players

Agilent Technologies Inc, Bio-Rad Laboratories Inc, ChemAxon Ltd, OpenEye Scientific Software, Jubilant Biosys Inc.

Cheminformatics Market Overview 2025-2034

Source: Secondary Research, Primary Research, Market Research Future Database and Analyst Review

Cheminformatics Market Trends

Rising demands for efficient and cost-effective drug discovery processes to drive market growth

Cheminformatics is the application of computer and informational approaches to a wide range of chemistry problems. These methods are employed in pharmaceutical businesses during the drug discovery process. These approaches can also be employed in various chemical and associated industries. Cheminformatics combines information resources to transform data into information and information into knowledge to make better decisions faster in drug lead identification and optimization. Drug discovery is a complex and resource-intensive process involving identifying, designing, and optimizing potential drug candidates. Cheminformatics, which uses computational methods and tools for analyzing chemical data and information, is crucial in accelerating and optimizing various stages of the drug discovery process.

Traditional drug discovery methods can be time-consuming, expensive, and labor-intensive, involving extensive experimental testing of numerous chemical compounds. Cheminformatics tools enable researchers to rapidly analyze large datasets, predict the properties and activities of chemical compounds, and prioritize potential drug candidates for further experimental testing. This helps to streamline the drug discovery process, reduce the number of compounds to be synthesized and tested, and ultimately lower the costs associated with drug development, thereby driving market CAGR. The increased R&D spending is boosting the demand for cheminformatics to assess potential drug candidates and effectively manage data generated during molecular and atomic processes.

Moreover, rising awareness of personalized medicine is propelling market expansion. For example, in 2012, there were 81 personalized medicines in the United States, which is expected to expand to 286 by 2020. Furthermore, the rising frequency of numerous chronic conditions increases the need for therapies, which increases the market discovery of new drugs. This increase in drug discovery, industry funding, mergers & acquisitions, and industry investments will benefit the cheminformatics market revenue. For example, Optibrium, a software provider for drug discovery, announced a partnership with MSD, a brand of Merck & Co., Inc, Kenilworth, NJ, USA, in 2020. MSD has embraced Optibrium's StarDropTM software as a key component of their cheminformatics infrastructure as part of the collaboration.

Cheminformatics Market Segment Insights

Cheminformatics Application Insights

Based on application, the Cheminformatics Market segmentation includes chemical analysis, drug discovery, drug validation, and others. The chemical analysis segment dominated the global market, accounting for 37% of market revenue (2.04 billion). Cheminformatics is a field that integrates chemistry and informatics to solve challenges in drug creation, bioinformatics, molecular modeling, and biological databases. Cheminformatics assists in resolving problems related to high-throughput screening (HTS), molecular diversity, and virtual libraries of tiny molecules or compounds. It also helps develop a database of huge compound collections with computational methods for searching the library during analysis depending on various attributes. The broad applicability of the field's tools across the drug development spectrum, including target identification, lead optimization, drug validation, ADMET predictions, establishing structure-quantitative relationships, molecular modeling, and 3D structure development, contributes to its prominence in the development of novel medicines.

Figure 1: Cheminformatics Market, by Application, 2022 & 2032 (USD billion)

Cheminformatics Market, by Application, 2022 & 2032

Source: Secondary Research, Primary Research, Market Research Future Database and Analyst Review

The drug discovery application segment is expected to grow at the fastest CAGR in the cheminformatics industry in the coming years. Cheminformatics is important in drug development as it allows researchers to quickly analyze, organize, and interpret chemical data to identify and design prospective drug candidates. The increasing demand for novel and effective treatments to address unmet medical requirements is one of the primary drivers for the drug discovery application segment. With the rising frequency of chronic diseases, there is an urgent need to develop novel therapeutic molecules with increased efficacy, safety, and specificity. Cheminformatics tools and software provide significant insights into molecules' chemical characteristics, structures, and interactions, assisting researchers in identifying prospective drug candidates with optimized properties.

Cheminformatics Regional Insights

By Region, the study provides market insights into North America, Europe, Asia-Pacific, and the Rest of the World. The North American cheminformatics market was valued at USD 2.51 billion in 2022 and is expected to grow at a significant CAGR during the study period due to high R&D intensity and the incorporation of highly innovative technologies, the increasing prevalence of chronic disorders, and the presence of some of the leading players in the drug manufacturing industry. Increased patient awareness of healthcare services and rising demand for personalized medication will drive growth. Moreover, North America has a major position in the worldwide pharmaceuticals business and a substantial R&D footprint.

Also, the major countries studied in the market report are the U.S., German, Canada, France, the UK, Italy, Spain, China, Japan, India, Australia, South Korea, and Brazil.

Figure 2: CHEMINFORMATICS MARKET SHARE BY REGION 2022 (%)

CHEMINFORMATICS MARKET SHARE BY REGION 2022

Source: Secondary Research, Primary Research, Market Research Future Database and Analyst Review

The European cheminformatics market accounts for the second-largest market share. Europe is home to many top pharmaceutical and biotech firms, prominent research organizations, and university institutions engaged in drug discovery and development. The demand for modern cheminformatics tools and software is increasing to support these research activities, enable efficient data processing, and quicken drug discovery in the European market. Besides, European countries have strict drug approval standards and procedures requiring significant safety and efficacy data. Cheminformatics techniques can help anticipate ADMET (absorption, distribution, metabolism, excretion, and toxicity) features of chemical compounds, allowing researchers to optimize therapeutic prospects while ensuring regulatory compliance. Further, the German cheminformatics market held the largest market share, and the UK cheminformatics market was the fastest-growing market in the European region.

The Asia-Pacific Cheminformatics Market is expected to grow at the fastest CAGR from 2023 to 2032. This is due to the robust growth of the pharmaceutical and biotechnology sectors in countries like India, China, Japan, and South Korea. These countries are witnessing significant investments in research and development, leading to an increased demand for advanced cheminformatics tools and software to support drug discovery and development efforts. The growing adoption of digitalization and AI technologies in the Asia Pacific healthcare industry also drives the demand for cheminformatics. AI-based algorithms and machine learning techniques can analyze and interpret large-scale chemical data, enabling researchers to efficiently analyze and predict the properties and activities of chemical compounds. The increasing adoption of AI in drug discovery and development in the region drives the demand for cheminformatics tools and software to support these advanced research efforts. Moreover, China’s cheminformatics market held the largest market share, and the Indian cheminformatics market was the fastest-growing market in the Asia-Pacific region.

Cheminformatics Key Market Players & Competitive Insights

Major players in the cheminformatics market, such as Agilent Technologies Inc, OpenEye Scientific Software, Bio-Rad Laboratories Inc, Jubilant Biosys Inc, and ChemAxon Ltd, are actively investing in R&D operations to introduce innovative solutions, expand their product portfolios, and cater to the evolving needs of the pharmaceutical, biotechnology, and agrochemical industries. The global cheminformatics industry also benefits from technological advancements such as AI, ML (machine learning), and big data analytics, which drive innovation and enable faster and more accurate drug discovery processes.

Leading market players in the cheminformatics industry further drive growth through strategic market developments. These market developments include new product launches, collaborations, partnerships, acquisitions, and higher investments to strengthen their market position and expand their global footprint.

Agilent Technologies Inc is a global manufacturer of analytical instruments, software, services, consumables, and solutions for the life sciences, diagnostics, and applied chemical markets. The company provides a comprehensive range of cheminformatics tools and solutions, including software for data analysis, data management, and predictive modeling. Pharmaceutical and biotechnology firms, academic and research organizations, government agencies, and other chemical and life sciences customers use the company's products and services. Agilent Technologies Inc launched the Agilent ChemID, a comprehensive database of chemical substances for use in cheminformatics and chemical research, in September 2021. The database is intended to increase data accuracy and efficiency in chemical data analysis and modeling.

Bio-Rad Laboratories Inc is an international supplier of life science research instruments, reagents, consumables, software, and services for the life sciences, clinical diagnostics, and food safety markets. Researchers, scientists, and healthcare professionals use the company's products in various applications, including genomics, proteomics, cell biology, and molecular diagnostics. Bio-Rad Laboratories Inc announced the introduction of KnowItAll Informatics System 2021, a new version of its cheminformatics software suite, in August 2021. The latest edition provides researchers with superior chemical data analysis and interpretation tools, including increased data analysis and visualization capabilities, improved search functionality, and expanded spectral libraries.

Key Companies in the cheminformatics market include

  • Agilent Technologies Inc
  • Bio-Rad Laboratories Inc
  • BioSolveIT GmbH
  • BIOVIA (Dassault Systèmes)
  • ChemAxon Inc
  • Eurofins CEREP SA (Eurofins Panlabs Inc)
  • Jubilant Biosys Inc
  • Molecular Discovery Ltd
  • OpenEye Scientific Software Inc
  • Schrödinger Inc

Cheminformatics Industry Developments

  • Q2 2024: Schrödinger Appoints Dr. Karen Akinsanya as President of R&D Schrödinger, a leading provider of advanced molecular simulation and cheminformatics software, announced the appointment of Dr. Karen Akinsanya as President of R&D, strengthening its executive team to accelerate drug discovery initiatives.
  • Q2 2024: Agilent Technologies Launches New Cheminformatics Platform for Drug Discovery Agilent Technologies introduced a new cloud-based cheminformatics platform designed to streamline molecular modeling and data analysis for pharmaceutical and biotech companies.
  • Q2 2024: BioSolveIT and ChemAxon Announce Strategic Partnership to Integrate Cheminformatics Tools BioSolveIT and ChemAxon entered a strategic partnership to integrate their cheminformatics software solutions, aiming to enhance virtual screening and molecular design capabilities for drug discovery researchers.
  • Q3 2024: BIOVIA Launches Next-Generation Cheminformatics Suite for Life Sciences Dassault Systèmes' BIOVIA division launched a next-generation cheminformatics suite, offering advanced AI-driven analytics and visualization tools for chemical and biological data.
  • Q3 2024: Eurofins CEREP Expands Cheminformatics Capabilities with New Facility in France Eurofins CEREP, a subsidiary of Eurofins Scientific, opened a new facility in France dedicated to expanding its cheminformatics and high-throughput screening services for pharmaceutical clients.
  • Q4 2024: OpenEye Scientific Announces Collaboration with Pfizer to Advance Cheminformatics in Drug Discovery OpenEye Scientific entered a collaboration with Pfizer to deploy advanced cheminformatics and molecular modeling technologies in Pfizer’s drug discovery programs.
  • Q4 2024: Jubilant Biosys Secures Major Contract for Cheminformatics Services with Global Pharma Company Jubilant Biosys announced it has secured a significant contract to provide cheminformatics and computational chemistry services to a leading global pharmaceutical company.
  • Q1 2025: Schrödinger Raises $150 Million in Follow-on Public Offering Schrödinger, Inc. completed a $150 million follow-on public offering to support the expansion of its cheminformatics and computational drug discovery platforms.
  • Q1 2025: ChemAxon Launches AI-Driven Cheminformatics Platform for Academic Research ChemAxon launched a new AI-driven cheminformatics platform tailored for academic institutions, aiming to accelerate chemical data analysis and molecular discovery.
  • Q2 2025: Bio-Rad Laboratories Announces Acquisition of Molecular Discovery Ltd. Bio-Rad Laboratories acquired Molecular Discovery Ltd., a specialist in cheminformatics software, to strengthen its portfolio in computational chemistry and drug discovery.
  • Q2 2025: OpenEye Scientific Opens New R&D Center Focused on Cheminformatics Innovation OpenEye Scientific inaugurated a new research and development center dedicated to advancing cheminformatics algorithms and molecular modeling technologies.
  • Q3 2025: Agilent Technologies Partners with Leading Biotech Firm to Deploy Cheminformatics Solutions Agilent Technologies announced a partnership with a leading biotechnology company to implement its cheminformatics solutions for enhanced drug discovery workflows.

Cheminformatics Market Segmentation

Cheminformatics Application Outlook

  • Chemical Analysis
  • Drug Discovery
  • Drug Validation
  • Others

Cheminformatics Regional Outlook

    • North America

      • US
      • Canada
    • Europe

      • Germany
      • France
      • UK
      • Italy
      • Spain
      • Rest of Europe
    • Asia-Pacific

      • China
      • Japan
      • India
      • Australia
      • South Korea
      • Australia
      • Rest of Asia-Pacific
    • Rest of the World

      • Middle East

      • Africa

      • Latin America

Report Attribute/Metric Details
Market Size 2024    7.34 (USD Billion)
Market Size 2025    8.47 (USD Billion)
Market Size 2034   31.05 (USD Billion)
Compound Annual Growth Rate (CAGR)   15.52 % (2025 - 2034)
Report Coverage Revenue Forecast, Competitive Landscape, Growth Factors, and Trends
Base Year 2024
Market Forecast Period 2025 - 2034
Historical Data 2020 - 2024
Report Coverage Revenue Forecast, Market Competitive Landscape, Growth Factors, and Trends
Segments Covered Application and Region
Geographies Covered North America, Europe, Asia Pacific, and the Rest of the World
Countries Covered The U.S., Canada, German, France, UK, Italy, Spain, China, Japan, India, Australia, South Korea, and Brazil
Key Companies Profiled  Agilent Technologies Inc, Bio-Rad Laboratories Inc, BioSolveIT GmbH, BIOVIA (Dassault Systèmes), ChemAxon Inc, Eurofins CEREP SA (Eurofins Panlabs Inc), Jubilant Biosys Inc, Molecular Discovery Ltd, OpenEye Scientific Software Inc, Schrödinger Inc
Key Market Opportunities Growing demand for drug discovery and development drives the adoption of cheminformatics tools and software
Key Market Dynamics Increased awareness regarding personalized medicines and a surge in chronic diseases


Frequently Asked Questions (FAQ):

The Cheminformatics Market size was valued at USD 5.5 Billion in 2022.

The global market is projected to grow at a CAGR of 15.5% during the forecast period, 2023-2032.

North America had the largest revenue share of the global market.

The key players in the market are Bio-Rad Laboratories Inc, BioSolveIT GmbH, Agilent Technologies Inc, BIOVIA (Dassault Systèmes), ChemAxon Inc, Eurofins CEREP SA (Eurofins Panlabs Inc), Jubilant Biosys Inc, Molecular Discovery Ltd, OpenEye Scientific Software Inc, and Schrödinger Inc.

The chemical analysis category dominated the market in 2022.

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