Chemoinformatics Global Market Report 2026

Chemoinformatics refers to an emerging field within information technology that focuses on the collection, storage, analysis, and manipulation of chemical data. It is particularly employed to examine the relationships between target molecular activity, chemical characteristics, and structure.

The primary domains encompassed by chemoinformatics are chemistry, computer science, and information science. In the realm of chemistry, chemoinformatics aids in comprehending the physical, chemical, and biological characteristics of diverse chemical compounds, with the added benefit of expediting the identification of potential therapeutic targets. Various applications of chemoinformatics include chemical analysis, drug discovery and validation, virtual screening, among others. These applications find utility in sectors such as chemical and pharmaceutical industries, research and academic institutions, and other end-users.

Note that the outlook for this market is being affected by rapid changes in trade relations and tariffs globally. The report will be updated prior to delivery to reflect the latest status, including revised forecasts and quantified impact analysis. The report's Recommendations and Conclusions sections will be updated to give strategies for entities dealing with the fast-moving international environment.

Tariffs are influencing the chemoinformatics market by increasing costs of imported software licenses, high-performance computing hardware, cloud infrastructure components, and advanced analytics tools. Research institutions and pharmaceutical companies in North America and Europe are most affected due to reliance on imported digital solutions, while Asia-Pacific faces higher costs for technology-enabled research platforms. These tariffs are raising operational costs and slowing software adoption. However, they are also encouraging local software development, open-source platform usage, and regional innovation ecosystems.

The chemoinformatics market research report is one of a series of new reports from The Business Research Company that provides chemoinformatics market statistics, including chemoinformatics industry global market size, regional shares, competitors with a chemoinformatics market share, detailed chemoinformatics market segments, market trends and opportunities, and any further data you may need to thrive in the chemoinformatics industry. This chemoinformatics market research report delivers a complete perspective of everything you need, with an in-depth analysis of the current and future scenario of the industry.

The chemoinformatics market size has grown steadily in recent years. It will grow from $4.33 billion in 2025 to $4.51 billion in 2026 at a compound annual growth rate (CAGR) of 4.3%. The growth in the historic period can be attributed to growth of pharmaceutical r&d activities, increasing chemical data generation, rising adoption of computational chemistry tools, expansion of academic research programs, availability of chemical databases.

The chemoinformatics market size is expected to see steady growth in the next few years. It will grow to $5.25 billion in 2030 at a compound annual growth rate (CAGR) of 3.9%. The growth in the forecast period can be attributed to increasing investments in digital drug discovery, rising demand for faster molecular screening, expansion of precision medicine research, growing integration of machine learning models, increasing focus on cost-efficient r&d processes. Major trends in the forecast period include increasing use of ai in drug discovery analytics, rising adoption of virtual screening tools, growing integration of big data in chemical research, expansion of cloud-based chemoinformatics platforms, enhanced focus on predictive modeling.

The surging prevalence of chronic diseases is driving the growth of the chemoinformatics market. Chronic diseases are long-lasting illnesses that require ongoing medical attention. The rising incidence of conditions such as neglected tropical diseases increases the demand for new drug discoveries and novel chemical treatments, for which chemoinformatics plays a critical role. For instance, in April 2025, according to the NHS Confederation, a UK-based national association, it is estimated that by 2035, 17% of the UK population could be living with four or more chronic conditions. Therefore, the increasing prevalence of chronic diseases is expected to boost the demand for chemoinformatics solutions.

Major companies in the chemoinformatics market are focusing on developing innovative solutions such as molecular-modeling tools to accelerate drug discovery and improve predictive accuracy. Molecular-modeling tools are software applications that simulate molecular structures and behaviors to help researchers predict chemical properties and design new compounds. For instance, in September 2023, Kode S.r.l., an Italy-based software engineering company, launched FAST to enhance the speed and efficiency of chemoinformatics workflows. The platform supports rapid molecule analysis, property prediction, and data processing for R&D teams, improving computational performance and usability to accelerate innovation in drug discovery and chemical informatics.

In October 2024, Certara Inc., a US-based model-informed drug development company, acquired Chemaxon for an undisclosed amount. Through this acquisition, Certara aimed to strengthen its drug discovery software portfolio by integrating Chemaxon's cheminformatics tools, enhancing chemical structure analysis, property prediction, and data-driven decision-making capabilities. ChemAxon Ltd. is a US-based software company specializing in cheminformatics solutions for life sciences, biotechnology, and chemical research, offering tools for chemical structure drawing, in-silico screening, and predictive modeling to support R&D activities.

Major companies operating in the chemoinformatics market are ChemAxon Ltd., Jubilant Biosys Inc., BIOVIA, OpenEye Scientific Software Inc., Schrodinger Inc., Advanced Chemistry Development Inc., Scilligence Corporation, Dassault Systemes SE, Chemical Computing Group Inc., Collaborative Drug Discovery Inc., KNIME.COM Aktiengesellschaft, Simulations Plus Inc., Cambridgesoft Corp., Molecular Discovery Ltd., Optibrium Ltd., Cresset Group Ltd., Dotmatics Ltd., Genedata AG, Inte:Ligand GmbH, MolPort Inc., Cheminformatics LLC, Chemspace, InfoChem GmbH, Molecular Networks GmbH, VLife Sciences Technologies Pvt. Ltd., Xemistry GmbH, Cheminnovation Software Inc.

North America was the largest region in the chemoinformatics market in 2025. Asia-Pacific is expected to be the fastest-growing region in the forecast period. The regions covered in the chemoinformatics market report are Asia-Pacific, South East Asia, Western Europe, Eastern Europe, North America, South America, Middle East, Africa

The countries covered in the chemoinformatics market report are Australia, Brazil, China, France, Germany, India, Indonesia, Japan, Taiwan, Russia, South Korea, UK, USA, Canada, Italy, Spain

The chemoinformatic market includes revenues earned by entities by developing and providing chemoinformatic tools and software used in the data analysis and drug discovery processes by pharmaceuticals. The market value includes the value of related goods sold by the service provider or included within the service offering. Only goods and services traded between entities or sold to end consumers are included.

The market value is defined as the revenues that enterprises gain from the sale of goods and/or services within the specified market and geography through sales, grants, or donations in terms of the currency (in USD unless otherwise specified).

The revenues for a specified geography are consumption values that are revenues generated by organizations in the specified geography within the market, irrespective of where they are produced. It does not include revenues from resales along the supply chain, either further along the supply chain or as part of other products.

Chemoinformatics Market Global Report 2026 from The Business Research Company provides strategists, marketers and senior management with the critical information they need to assess the market.

This report focuses chemoinformatics market which is experiencing strong growth. The report gives a guide to the trends which will be shaping the market over the next ten years and beyond.

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Where is the largest and fastest growing market for chemoinformatics ? How does the market relate to the overall economy, demography and other similar markets? What forces will shape the market going forward, including technological disruption, regulatory shifts, and changing consumer preferences? The chemoinformatics market global report from the Business Research Company answers all these questions and many more.

The report covers market characteristics, size and growth, segmentation, regional and country breakdowns, total addressable market (TAM), market attractiveness score (MAS), competitive landscape, market shares, company scoring matrix, trends and strategies for this market. It traces the market's historic and forecast market growth by geography.

• The market characteristics section of the report defines and explains the market. This section also examines key products and services offered in the market, evaluates brand-level differentiation, compares product features, and highlights major innovation and product development trends.
• The supply chain analysis section provides an overview of the entire value chain, including key raw materials, resources, and supplier analysis. It also provides a list competitor at each level of the supply chain.
• The updated trends and strategies section analyses the shape of the market as it evolves and highlights emerging technology trends such as digital transformation, automation, sustainability initiatives, and AI-driven innovation. It suggests how companies can leverage these advancements to strengthen their market position and achieve competitive differentiation.
• The regulatory and investment landscape section provides an overview of the key regulatory frameworks, regularity bodies, associations, and government policies influencing the market. It also examines major investment flows, incentives, and funding trends shaping industry growth and innovation.
• The market size section gives the market size ($b) covering both the historic growth of the market, and forecasting its development.
• The forecasts are made after considering the major factors currently impacting the market. These include the technological advancements such as AI and automation, Russia-Ukraine war, trade tariffs (government-imposed import/export duties), elevated inflation and interest rates.
• The total addressable market (TAM) analysis section defines and estimates the market potential compares it with the current market size, and provides strategic insights and growth opportunities based on this evaluation.
• The market attractiveness scoring section evaluates the market based on a quantitative scoring framework that considers growth potential, competitive dynamics, strategic fit, and risk profile. It also provides interpretive insights and strategic implications for decision-makers.
• Market segmentations break down the market into sub markets.
• The regional and country breakdowns section gives an analysis of the market in each geography and the size of the market by geography and compares their historic and forecast growth.
• Expanded geographical coverage includes Taiwan and Southeast Asia, reflecting recent supply chain realignments and manufacturing shifts in the region. This section analyzes how these markets are becoming increasingly important hubs in the global value chain.
• The competitive landscape chapter gives a description of the competitive nature of the market, market shares, and a description of the leading companies. Key financial deals which have shaped the market in recent years are identified.
• The company scoring matrix section evaluates and ranks leading companies based on a multi-parameter framework that includes market share or revenues, product innovation, and brand recognition.

Scope

• Markets Covered:1) By Type: Chemistry; Computer Science; Information Science
• 2) By Application: Chemical Analysis; Drug Discovery and Validation; Virtual Screening; Other Applications
• 3) By End User: Chemical and Pharmaceutical Industries; Research and Academic Institution; Other End Users
• Subsegments:
• 1) By Chemistry: Molecular Modeling; Chemical Database Management; Structure-Activity Relationship (SAR) Analysis
• 2) By Computer Science: Software Development for Chemoinformatics; Data Mining and Machine Learning Applications; Computational Chemistry Algorithms
• 3) By Information Science: Data Integration and Analysis; Knowledge Management in Chemical Research; Information Retrieval Systems for Chemical Data
• Companies Mentioned: ChemAxon Ltd.; Jubilant Biosys Inc.; BIOVIA; OpenEye Scientific Software Inc.; Schrodinger Inc.; Advanced Chemistry Development Inc.; Scilligence Corporation; Dassault Systemes SE; Chemical Computing Group Inc.; Collaborative Drug Discovery Inc.; KNIME.COM Aktiengesellschaft; Simulations Plus Inc.; Cambridgesoft Corp.; Molecular Discovery Ltd.; Optibrium Ltd.; Cresset Group Ltd.; Dotmatics Ltd.; Genedata AG; Inte:Ligand GmbH; MolPort Inc.; Cheminformatics LLC; Chemspace; InfoChem GmbH; Molecular Networks GmbH; VLife Sciences Technologies Pvt. Ltd.; Xemistry GmbH; Cheminnovation Software Inc.
• Countries: Australia; Brazil; China; France; Germany; India; Indonesia; Japan; Taiwan; Russia; South Korea; UK; USA; Canada; Italy; Spain
• Regions: Asia-Pacific; South East Asia; Western Europe; Eastern Europe; North America; South America; Middle East; Africa
• Time Series: Five years historic and ten years forecast.
• Data: Ratios of market size and growth to related markets, GDP proportions, expenditure per capita,
• Data Segmentations: country and regional historic and forecast data, market share of competitors, market segments.
• Sourcing and Referencing: Data and analysis throughout the report is sourced using end notes.
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