Cheminformatics Market - Global Industry Size, Share, Trends, Opportunity, and Forecast, Segmented By Application (Chemical Analysis, Drug Discovery and Validation, Virtual Screening, Others), By End User (Chemical & Pharmaceutical Companies, Academic & Research Institutions, Others), By Company, and By Region 2021-2031F

Forecast Period	2027-2031
Market Size (2025)	USD 4.36 Billion
CAGR (2026-2031)	12.07%
Fastest Growing Segment	Chemical Analysis
Largest Market	North America
Market Size (2031)	USD 8.64 Billion

Market Overview

The Global Cheminformatics Market will grow from USD 4.36 Billion in 2025 to USD 8.64 Billion by 2031 at a 12.07% CAGR. Cheminformatics involves the application of computational methods to manage and analyze chemical data, facilitating the storage, retrieval, and modeling of compound information. Market growth is propelled by the escalating need for efficiency in drug discovery and the management of vast datasets from high-throughput screening. This momentum is evidenced by significant sector investment. According to the European Federation of Pharmaceutical Industries and Associations, in 2023, the research-based pharmaceutical industry invested an estimated €50,000 million in R&D in Europe. This expenditure underscores the critical role of digital tools in optimizing research outcomes and reducing development timelines.

However, a significant challenge impeding market expansion is the scarcity of skilled personnel possessing dual expertise in chemistry and information technology. This talent gap creates difficulties in the implementation of complex informatics systems. Additionally, issues regarding data standardization between disparate platforms further complicate the seamless integration required for collaborative research, potentially slowing the broader adoption of these technologies.

Key Market Drivers

The accelerated integration of AI and machine learning in drug discovery significantly propels the cheminformatics sector. These technologies enable researchers to predict molecular behavior and optimize lead compounds, necessitating advanced software infrastructures to handle data complexities. This integration is vital for small molecule design where algorithms process vast chemical libraries. According to Eli Lilly and Company, January 2024, in the 'Lilly and Isomorphic Labs Enter Strategic Partnership' press release, the company committed an upfront payment of $45 million to collaborate on AI-driven drug design. Such collaborations highlight the reliance on informatics platforms to bridge the gap between computational predictions and wet-lab validation.

Surging R&D investments by pharmaceutical enterprises also act as a primary market catalyst. Companies allocate substantial capital toward digital transformation tools that streamline the research lifecycle to maintain competitive pipelines. This financial influx supports the procurement of screening and modeling software essential for modern chemistry. According to Merck & Co., Inc., February 2024, in the 'Merck Announces Fourth-Quarter and Full-Year 2023 Financial Results' report, the organization’s full-year research and development expenses rose to $30.5 billion. Furthermore, the regulatory environment reinforces this trend by demanding rigorous data integrity. According to the U.S. Food and Drug Administration, in 2023, the agency approved 55 new molecular entities, a volume demanding robust informatics systems to manage regulatory data submissions.

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Key Market Challenges

The scarcity of skilled personnel possessing dual expertise in chemistry and information technology presents a significant barrier to the Global Cheminformatics Market. As pharmaceutical and biotechnology companies increasingly rely on computational methods to model compound information, the demand for professionals who can navigate both scientific principles and complex data architectures has outpaced supply. This talent gap hinders the seamless integration of informatics systems, forcing organizations to delay the deployment of essential digital tools. Without a workforce capable of bridging these distinct disciplines, companies struggle to optimize the management of large-scale chemical datasets, thereby stalling critical research and development initiatives.

This operational bottleneck is substantiated by recent industry data indicating that the skills shortage is intensifying. According to the Pistoia Alliance, in 2025, 34 percent of life science laboratories cited a lack of skilled personnel as a primary obstacle to the adoption of advanced digital technologies, an increase from 23 percent in the previous year. This rising deficit in technical proficiency directly restricts the market’s ability to sustain its growth momentum. When organizations cannot secure the necessary human capital to operate these platforms, the efficiency gains promised by cheminformatics remain unrealized, resulting in extended development timelines and reduced market expansion.

Key Market Trends

The Widespread Adoption of Cloud-Native and SaaS Deployment Models is reshaping the Global Cheminformatics Market by replacing rigid on-premise infrastructures with scalable platforms. This transition allows pharmaceutical organizations to decentralize research operations, facilitating seamless collaboration across geographically dispersed teams. By leveraging cloud architectures, companies can efficiently manage the exponential growth of chemical data without the substantial capital expenditure associated with traditional hardware. This strategic shift is evidenced by major industry players consolidating their digital ecosystems on cloud frameworks. According to Veeva Systems, June 2025, in the 'Veeva and AWS Expand 10-Year Relationship' press release, the company extended its cloud infrastructure collaboration to support over 50 life sciences applications, underscoring the sector's reliance on cloud-native environments to drive operational agility.

Concurrently, the Emergence of Specialized Tools for Biologics and Large Molecules is gaining prominence as the industry pivots from small-molecule drugs to complex therapeutic proteins. This trend necessitates the development of novel informatics solutions capable of handling the intricate structural data unique to biologics, which legacy systems cannot adequately process. As R&D pipelines increasingly prioritize large-molecule therapies, the demand for dedicated software to model and simulate these entities has surged. This market evolution is supported by robust financial projections for biologics-heavy therapeutic areas. According to the IQVIA Institute for Human Data Science, June 2025, in the 'Global Use of Medicines Outlook Through 2029' report, global spending on oncology—a sector predominantly driven by biologic innovations—is projected to reach $441 billion by 2029, highlighting the critical need for advanced informatics to support this expanding domain.

Segmental Insights

Based on current market intelligence, the Chemical Analysis segment is the fastest growing category within the Global Cheminformatics Market due to the increasing integration of computational tools for spectral interpretation and property prediction. This expansion is primarily driven by the necessity to streamline complex laboratory workflows and ensure adherence to stringent safety standards established by regulatory entities such as the United States Food and Drug Administration. Organizations are prioritizing these digital solutions to automate data processing and minimize human error during compound characterization. Consequently, the industry is witnessing a shift toward software that significantly enhances the accuracy and speed of analytical testing.

Regional Insights

North America maintains a dominant position in the global cheminformatics market, driven by the strong presence of established pharmaceutical and biotechnology companies. This leadership is supported by substantial capital allocation toward research and development activities that require robust data analysis. Additionally, strict guidelines from institutions such as the U.S. Food and Drug Administration (FDA) necessitate accurate data management and reporting during drug development. Consequently, companies increasingly integrate cheminformatics software to ensure regulatory compliance and streamline discovery processes, reinforcing the regional market strength.

Recent Developments

• In September 2025, Cadence Molecular Sciences introduced ROCS X, a virtual screening solution powered by artificial intelligence. The new tool was designed to enable scientists to conduct three-dimensional searches across trillions of drug-like molecules, significantly expanding the scale of virtual screening compared to previous methods. Developed and validated in collaboration with a biotechnology partner, the technology demonstrated the ability to physically source novel compounds for evaluation, aiming to accelerate the identification of potential drug candidates through advanced computational molecular design and physics-based approaches.
• In April 2025, Revvity Signals Software launched Signals One, a unified informatics platform designed to streamline data management across the drug discovery lifecycle. The new solution integrated capabilities from the company's existing portfolio to support the "Design-Make-Test-Decide" workflow, addressing the complexities of modern drug modality research. Signals One provided scientists with advanced data processing tools for tasks such as in vitro curve fitting and in vivo analysis, while ensuring assay data was standardized and ready for artificial intelligence applications to uncover hidden insights.
• In November 2024, Schrödinger entered into a multi-year research collaboration and license agreement with Novartis to advance drug discovery efforts. Under the terms of the agreement, the companies planned to combine their research capabilities to identify and develop therapeutic candidates for undisclosed targets in Novartis's core areas. The partnership, which involved a $150 million upfront payment to Schrödinger, also included an expanded software agreement granting Novartis increased access to Schrödinger’s computational predictive modeling technology and enterprise informatics platform to deploy these tools at scale across its global research sites.
• In September 2024, CAS introduced significant enhancements to its CAS SciFinder discovery platform to improve research efficiency for scientists. The update expanded substance text search capabilities to include functional groups and substance classes, allowing researchers to discover substances by describing specific moieties or broader chemical categories. Additionally, the platform improved supplier search functionality to support complex queries involving multiple substances and specific chemical groups. These updates were designed to streamline the identification of relevant chemical data and support more efficient workflows for scientists navigating the organization's comprehensive content collection.

Key Market Players

• Agilent Technologies Inc.
• Bio-Rad Laboratories Inc.
• PerkinElmer NC.
• Accelrys Software Inc.
• Chemical Computing Group, Inc.
• Certara, L.P.
• Advanced Chemistry Development, Inc.
• BioSolveIT GmbH
• Dassault Systèmes
• ChemAxon Inc.
• Eurofins Panlabs Inc.
• Jubilant Biosys Inc.
• Molecular Discovery Ltd.
• OpenEye Scientific Software Inc.
• Schrödinger Inc.

By Application	By End User	By Region
Chemical Analysis Drug Discovery and Validation Virtual Screening Others	Chemical & Pharmaceutical Companies Academic & Research Institutions Others	North America Europe Asia Pacific South America Middle East & Africa

Report Scope:

In this report, the Global Cheminformatics Market has been segmented into the following categories, in addition to the industry trends which have also been detailed below:

• Cheminformatics Market, By Application:

• Chemical Analysis
• Drug Discovery and Validation
• Virtual Screening
• Others

• Cheminformatics Market, By End User:

• Chemical & Pharmaceutical Companies
• Academic & Research Institutions
• Others

• Cheminformatics Market, By Region:

• North America
• United States
• Canada
• Mexico
• Europe
• France
• United Kingdom
• Italy
• Germany
• Spain
• Asia Pacific
• China
• India
• Japan
• Australia
• South Korea
• South America
• Brazil
• Argentina
• Colombia
• Middle East & Africa
• South Africa
• Saudi Arabia
• UAE