Chemoinformatics Market Size & Share Analysis - Growth Trends & Forecasts (2024 - 2029)

The Market Report Covers Global Cheminformatics Companies and is Segmented by Application (Chemical Analysis (Chemical Databases, Chemometrics, Molecular Modelling, and Other Chemical Analysis), Drug Discovery and Validation, Virtual Screening, and Other Applications) and Geography (North America, Europe, Asia-Pacific, Middle East and Africa, and South America). The value is provided in (USD million) for the above segments.

Cheminformatics Market Size

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Chemoinformatics Market Summary
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Study Period 2019 - 2029
Market Size (2024) USD 6.10 Billion
Market Size (2029) USD 10.90 Billion
CAGR (2024 - 2029) 15.50 %
Fastest Growing Market Asia Pacific
Largest Market North America

Major Players


*Disclaimer: Major Players sorted in no particular order


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Cheminformatics Market Analysis

The Chemoinformatics Market size is estimated at USD 6.10 billion in 2024, and is expected to reach USD 10.90 billion by 2029, growing at a CAGR of 15.5% during the forecast period (2024-2029).

The pandemic positively impacted the cheminformatics market. The outbreak of the COVID-19 pandemic pushed the pharmaceutical industry into action, with a race to develop both therapeutic and preventive drugs. Cheminformatics approaches are one set of tools in the computational toolbox that can be applied to therapeutic discovery. Therefore, cheminformatics played an important role in drug discovery during the pandemic. For instance, according to the report published by the Journal of Cheminformatics in March 2021, the computational chemistry and cheminformatics community was actively involved in COVID-19 research and the rapid onset of computational research on COVID-19. Therefore, such instances indicated considerable growth in the market during the pandemic. Since COVID-19 research studies are still being conducted, there will likely be a continued demand for cheminformatics in the coming years.

The innovations and advancements in the drug development process and increased demand for personalized medicine are the major drivers for the market. Innovations and advancements in the drug development process are prominent market drivers. For instance, according to the Frontiers in Chemistry journal published in June 2021, cheminformatics became an integral part of drug discovery. It accelerated the search for new chemicals with desired physicochemical, pharmacological, toxicological, and pharmacokinetic properties. These are anticipated to propel the market growth over the forecast period.

Furthermore, the new collaborations among the market players increase the widespread applications in cheminformatics. For instance, in March 2021, Elsevier entered a new collaboration with LexisNexis Legal & Professional. It was to strengthen the existing patent coverage in Reaxys, its information solution for chemistry R&D. The content expansion in Reaxys further cements its position as a comprehensive cheminformatics solution by ensuring companies and researchers do not miss key competitive intelligence insights. These are expected to significantly impact the market over the forecast period.

However, a lack of skilled laborers is expected to hinder the market growth over the forecast period.

Cheminformatics Market Trends

Virtual Screening Segment is Expected to Witness Growth in the Market Over the Forecast Period

Virtual screening using cheminformatics approaches became a major tool for identifying leads in drug discovery. Virtual screening can filter unwanted compounds from libraries based on criteria such as solubility and ADMET properties. It can also be used to screen large in silico libraries to identify compounds with desired properties and to gather preliminary information for experimental high-throughput screening. Virtual screening methods include docking calculations if the target structure is known and structural similarity searches if the ligand is known but the target structure is unknown. Quantitative structure-activity relationship (QSAR) modeling if neither structure is known.

The advantages of virtual screening are responsible for propelling segment growth. For instance, according to the report published by Frontiers in Chemistry in April 2021, virtual screening strategies innovated the discovery of new bioactive molecules. It was done by evaluating large libraries of compounds in silico, favoring the analysis of their chemical space, pharmacodynamics, and pharmacokinetic properties. It reduced the financial effort, infrastructure, and time of discovering new chemical entities.

Furthermore, the new advancements in virtual screening are expected to boost the market segment's growth. For instance, the report published by IDTechEx in June 2021 stated that AI in structure-based virtual screening is receiving significant attention from investors as structure-based virtual screening is the leading form of AI in drug discovery. Thus, with new advancements in the segment, the market is expected to grow over the study period.

Cheminformatics Market: Funding for Biotechnology Sectors (In Million), United States, 2020-2021

North America is Expected to include Significant Share in the Market Over the Forecast Period

North America is expected to include a significant share in the market over the forecast period owing to increased funding in biotechnology sectors. It is to accelerate drug discovery, new approvals and launches of various platforms, and the presence of many key players in the region. For instance, in July 2022, Dotmatics launched its small molecule drug discovery solution in the United States. It is an integrated scientific R&D platform with pre-configured workflows and expanded data management capabilities. The Small Molecule Drug Discovery Solution promotes greater collaboration and productivity among research teams, reduces operational inefficiencies, and speeds the process of taking data from insights to decisions. These are expected to boost the market over the study period.

Furthermore, the new collaborations and acquisitions among the region's market players help address various challenges in cheminformatics. For instance, in December 2022, Chemical Computing Group (CCG), headquartered in Montreal, Canada, acquired Discngine SAS. By combining Discngine's technical science capabilities with CCG's market leadership in molecular modeling software, CCG can accelerate the development of life sciences solutions to address key customer challenges, expected to increase the market's growth.

Cheminformatics Market: Growth Rate by Region

Cheminformatics Industry Overview

The chemoinformatics market gained significant momentum in research institutions, pharmaceutical companies, the biotechnology industry, research laboratories, and academic institutions. The market is moderately competitive with few market players. The competitive landscape includes an analysis of a few international as well as local companies that hold market shares and are well known, including Dassault Systemes, Scilligence, BioSolveIT GmbH, Chemical Computing Group ULC, and Jubilant Biosys Ltd, among others.

Cheminformatics Market Leaders

  1. Scilligence

  2. BioSolveIT GmbH

  3. Collaborative Drug Discovery Inc.

  4. Chemaxon Ltd

  5. Dassault Systemes

*Disclaimer: Major Players sorted in no particular order

Chemoinformatics Market Concentration
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Cheminformatics Market News

  • In October 2023, Cadence Molecular Sciences (OpenEye) announced that Pfizer Inc. has signed an agreement to extend and expand access to Cadence products and programming toolkits for advanced molecular design. Cadence Molecular Sciences’ physics-and AI-based modelling and cheminformatics computational software is an enabler of early-stage drug discovery innovation. 
  • In June 2023, Vox Biomedical announced that it has received a program from the National Institute of General Medical Sciences (NIGMS) to develop an artificial intelligence-based chemical identification library, for the identification of volatile organic compounds (VOCs), using a gas chromatography and differential mobility spectrometry (GC-DMS) technique.

Cheminformatics Market Report - Table of Contents


    1. 1.1 Study Assumptions and Market Definition

    2. 1.2 Scope of the Study




    1. 4.1 Market Overview

    2. 4.2 Market Drivers

      1. 4.2.1 Innovations and Advancements in the Drug Development Process

      2. 4.2.2 Increased Demand of Personalized Medicine

    3. 4.3 Market Restraints

      1. 4.3.1 Lack of Skilled Labors

    4. 4.4 Porter's Five Forces Analysis

      1. 4.4.1 Bargaining Power of Suppliers

      2. 4.4.2 Bargaining Power of Buyers/Consumers

      3. 4.4.3 Threat of New Entrants

      4. 4.4.4 Threat of Substitute Products

      5. 4.4.5 Intensity of Competitive Rivalry

  5. 5. MARKET SEGMENTATION (Market Size by Value - USD)

    1. 5.1 By Application

      1. 5.1.1 Chemical Analysis

        1. Chemical Databases

        2. Chemometrics

        3. Molecular Modelling

        4. Other Chemical Analysis

      2. 5.1.2 Drug Discovery and Validation

      3. 5.1.3 Virtual Screening

      4. 5.1.4 Other Applications

    2. 5.2 Geography

      1. 5.2.1 North America

        1. United States

        2. Canada

        3. Mexico

      2. 5.2.2 Europe

        1. Germany

        2. United Kingdom

        3. France

        4. Italy

        5. Spain

        6. Rest of Europe

      3. 5.2.3 Asia-Pacific

        1. China

        2. Japan

        3. India

        4. Australia

        5. South Korea

        6. Rest of Asia-Pacific

      4. 5.2.4 Middle East and Africa

        1. GCC

        2. South Africa

        3. Rest of Middle East and Africa

      5. 5.2.5 South America

        1. Brazil

        2. Argentina

        3. Rest of South America


    1. 6.1 Company Profiles

      1. 6.1.1 Dassault Systemes

      2. 6.1.2 BioSolveIT GmbH

      3. 6.1.3 Collaborative Drug Discovery Inc.

      4. 6.1.4 Chemaxon Ltd

      5. 6.1.5 Scilligence

      6. 6.1.6 Chemical Computing Group ULC

      7. 6.1.7 Jubilant Biosys Ltd

      8. 6.1.8 Molecular Discovery Ltd

      9. 6.1.9 Cadence Design Systems, Inc (OpenEye Scientific Software, Inc.)

      10. 6.1.10 Schrödinger, Inc.

    2. *List Not Exhaustive

**Subject to Availability
**Competitive Landscape covers- Business Overview, Financials, Products and Strategies and Recent Developments
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Cheminformatics Industry Segmentation

As per the scope of the report, chemoinformatics involves computer applications to develop chemical data. With the help of chemoinformatics, the study of chemical structures and storage and analysis of the chemical data can be done easily. 

The Cheminformatics Market is segmented by application and Geography. By application, the market is segmented by chemical analysis, drug discovery and validation, virtual screening, and other applications. The report also covers the market sizes and forecasts for the cheminformatics market in major countries across different regions. For each segment, the market size is provided in terms of value (USD).

By Application
Chemical Analysis
Chemical Databases
Molecular Modelling
Other Chemical Analysis
Drug Discovery and Validation
Virtual Screening
Other Applications
North America
United States
United Kingdom
Rest of Europe
South Korea
Rest of Asia-Pacific
Middle East and Africa
South Africa
Rest of Middle East and Africa
South America
Rest of South America
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Cheminformatics Market Research FAQs

The Chemoinformatics Market size is expected to reach USD 6.10 billion in 2024 and grow at a CAGR of 15.5% to reach USD 10.90 billion by 2029.

In 2024, the Chemoinformatics Market size is expected to reach USD 6.10 billion.

Scilligence, BioSolveIT GmbH, Collaborative Drug Discovery Inc. , Chemaxon Ltd and Dassault Systemes are the major companies operating in the Chemoinformatics Market.

Asia Pacific is estimated to grow at the highest CAGR over the forecast period (2024-2029).

In 2024, the North America accounts for the largest market share in Chemoinformatics Market.

In 2023, the Chemoinformatics Market size was estimated at USD 5.28 billion. The report covers the Chemoinformatics Market historical market size for years: 2019, 2020, 2021, 2022 and 2023. The report also forecasts the Chemoinformatics Market size for years: 2024, 2025, 2026, 2027, 2028 and 2029.

Chemoinformatics Industry Report

Statistics for the 2024 Chemoinformatics market share, size and revenue growth rate, created by Mordor Intelligence™ Industry Reports. Chemoinformatics analysis includes a market forecast outlook to 2029 and historical overview. Get a sample of this industry analysis as a free report PDF download.

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Chemoinformatics Market Size & Share Analysis - Growth Trends & Forecasts (2024 - 2029)