Chemoinformatics Market Report 2026

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., Schrödinger Inc., Advanced Chemistry Development Inc., Scilligence Corporation, Dassault Systèmes 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.

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