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Chemoinformatics Market - By Product Type (Software, Service), Application (Chemical Analysis [Chemometrics, Molecular Modelling], Virtual Screening, Drug Discovery & Validation), End-use (CRO, Pharma, Biotech Companies) – Global Forecast (2024 – 2032)

  • Report ID: GMI9527
  • Published Date: May 2024
  • Report Format: PDF

Chemoinformatics Market Size

Chemoinformatics Market size was valued at around USD 3.3 billion in 2023 and is estimated to grow at 15.5% CAGR from 2024 to 2032. Chemoinformatics, also known as cheminformatics, is an interdisciplinary field that combines principles from chemistry, computer science, and information science to analyze and manage chemical data. It involves the application of computational techniques and tools to explore, visualize, analyze, and interpret chemical information, such as molecular structures, properties, reactions, and interactions.

Chemoinformatics Market

The advancement in computational technologies is a significant driving factors for the market. For instance, according to the Journal of Chemoinformatics, in 2023, the development of nose-to-brain drug delivery formulations for treating Alzheimer's disease along with hybrid optimization algorithms that combine techniques like Harris Hawks Optimization and Cuckoo Search are becoming integral parts in chemoinformatics. Progress in computational algorithms and modeling techniques has led to the development of sophisticated methods for analyzing and predicting chemical properties, molecular structures, and biological activities.

Furthermore, increasing R&D activities in pharmaceutical and biotechnology industries, growing healthcare IT (market size is estimated to account for USD 1.1 trillion by the end of year 2032), rising healthcare cloud computing, government initiatives and funding, and increasing education & awareness, are the promoting factors fostering the growth of the market.

Chemoinformatics Market Trends

The increasing R&D activities in pharmaceutical and biotechnology industries is a significant driver for market. Pharmaceutical and biotechnology companies rely heavily on these tools and techniques to expedite the drug screening, and drug discovery & development process.

  • Chemoinformatics enables researchers to design and screen large libraries of chemical compounds, predict their biological activities, optimize their properties, and prioritize lead candidates for further experimental validation.
  • By leveraging computational methods for molecular modeling, virtual screening, QSAR analysis, and molecular dynamics simulations, companies can identify promising drug candidates more efficiently, thereby reducing the time and cost required to bring new therapies to market.
  • Further, it plays a crucial role in target identification and validation which are critical steps in the drug discovery pipeline. For instance, computational methods allow researchers to analyze biological data, identify potential drug targets (such as proteins, enzymes, receptors, or nucleic acids) implicated in disease pathways, and assess their draggability and therapeutic potential.
  • The advent of personalized medicine and precision healthcare has fueled the demand for chemoinformatics solutions that enable the design of targeted therapies tailored to individual patient characteristics and disease profiles, thereby increasing the growth of the market.

Chemoinformatics Market Analysis

Chemoinformatics Market, By Product Type, 2021 – 2032 (USD Billion)

Based on product type, the market is divided into software and services. The software segment is estimated to account for USD 7 billion by 2032.

  • Software provides essential tools for analyzing, managing, and visualizing chemical data, molecular structures, and biological activities. These software platforms offer a wide range of functionalities including molecular modeling, virtual screening, QSAR analysis, molecular dynamics simulations, data mining, and database management, enabling researchers to extract valuable insights from large and complex chemical datasets.
  • They integrate computational methods, predictive models, and data analysis tools into unified platforms that streamline research workflows and enhance productivity.
  • According to the National Institutes of Health, in 2023, these software solutions enable researchers to perform complex calculations, simulations, and statistical analyses to understand structure-activity relationships, identify lead compounds, optimize molecular designs, and prioritize experimental strategies.
  • Further, software offers customization and flexibility to meet the diverse needs of researchers in academia, industry, and government. These software platforms can be tailored to specific research applications, therapeutic areas, or experimental workflows, allowing users to adapt algorithms, parameters, and data formats to their research objectives and preferences.


Chemoinformatics Market, By Application (2023)

Based on application, the chemoinformatics market is classified into chemical analysis, drug discovery and validation, virtual screening, and other applications. The chemical analysis segment accounted for USD 1.4 billion in 2023.

  • Chemical analysis is essential for characterizing the chemical properties, structures, and activities of compounds relevant to drug discovery and development. Advanced tools enable researchers to analyze and interpret chemical data generated from various analytical techniques such as spectroscopy, chromatography, mass spectrometry, and nuclear magnetic resonance (NMR) spectroscopy.
  • It is crucial for ensuring the quality, purity, and consistency of pharmaceutical products throughout the manufacturing process. Chemoinformatics solutions enable manufacturers to perform rigorous quality control and assurance tests on raw materials, intermediates, and finished products to meet regulatory requirements and maintain product integrity.
  • Further, chemoinformatics solutions are often integrated with laboratory information management systems (LIMS) to streamline data management, analysis, and reporting in analytical laboratories. By centralizing and standardizing chemical analysis data within LIMS databases, researchers can access, query, and analyze data more efficiently, facilitating collaboration, data sharing, and knowledge discovery.
  • By utilizing chemoinformatics tools for integrating data, evaluating risks, and providing decision support, stakeholders have the capability to oversee environmental standards, evaluate health risks, and establish policies and regulations based on evidence to protect public health and the environment.
  • Thus, such aforementioned factors are expected to augment the segmental growth.

Based on end-use, the chemoinformatics market is segmented into pharmaceutical and biotechnology companies, academic and research institutes, contract research organizations (CROs), and other end-users. The pharmaceutical and biotechnology companies segment held a market share of 40.4% in the year 2023.

  • These companies invest heavily in R&D to discover and develop new drugs. It plays a crucial role in drug discovery by utilizing computational methods to analyze chemical data, predict properties of molecules, and optimize drug candidates, leading to more efficient and cost-effective drug development processes.
  • Market expansion driven by investments from developed nations and regulatory reforms in clinical trial evaluations has led to the growth of the market within the pharmaceutical and biotechnology sectors. For instance, this growth is particularly evident in regions like Asia Pacific, where regulatory changes and increased investments are fostering opportunities for companies in the chemoinformatics space.
  • Further, by integrating chemical and biological data, pharmaceutical and biotechnology companies can prioritize targets with higher therapeutic potential, leading to the development of more effective treatments for various diseases.
  • Chemoinformatics plays a vital role in intellectual property management within pharmaceutical and biotechnology companies. These companies rely on chemoinformatics tools to analyze patent landscapes, assess freedom to operate, and prioritize research and development efforts, thereby expanding the growth of the market.


North America Chemoinformatics Market, 2021 – 2032 (USD Billion)

The U.S. chemoinformatics market is anticipated to grow at CAGR of 15.1% during the analysis timeframe.

  • The country has a robust ecosystem for scientific research and development, with significant investments in both public and private sectors. This investment fosters innovation in chemoinformatics, driving advancements in technologies and methodologies.
  • Further, as per National Institutes of Health, in 2023, 40% of the worldwide total of approximately 6,500 drugs in clinical development were originated in the U.S. This infrastructure enables researchers and companies to efficiently analyze large datasets and develop sophisticated chemoinformatics tools and software.

Netherlands chemoinformatics market is anticipated to witness lucrative growth between 2024 – 2032.

  • Netherlands is home to leading academic and research institutions known for their excellence in chemistry, bioinformatics, and computational science. For instance, institutions such as the University of Amsterdam, Leiden University, and Eindhoven University of Technology have made substantial contributions to the field of chemoinformatics through their research and collaborations with industry.
  • The country boasts a vibrant innovation ecosystem that supports the growth of startups and tech companies. Initiatives such as public-private partnerships, research grants, and incubators foster entrepreneurship and facilitate the development and commercialization of chemoinformatics technologies.

Japan Chemoinformatics market is expected to grow significantly over the years.

  • Japan is renowned for its advanced technological capabilities and strong emphasis on innovation. Japanese companies and research institutions have been pioneers in developing cutting-edge chemoinformatics technologies, software, and methodologies.
  • Further, the country is home to a thriving pharmaceutical industry, with major companies such as Takeda Pharmaceutical, Daiichi Sankyo, and Astellas Pharma leading the way in drug discovery and development. These companies heavily rely on chemoinformatics tools and technologies to accelerate the drug discovery process, leading to a significant market for chemoinformatics products and services.

Saudi Arabia Chemoinformatics market is anticipated to witness lucrative growth between 2024 – 2032.

  • Saudi Arabia forms strategic partnerships with leading global companies or research institutions in the field of chemoinformatics. Collaborations and knowledge exchange could accelerate the development and adoption of chemoinformatics technologies in the country.

Chemoinformatics Market Share

The chemoinformatics industry is highly competitive, marked by several players striving for market dominance. Providers offer comprehensive software and services with improved accuracy and precision. This includes innovations such as automated workflow systems for workflow efficiency, reducing hands-on time, and reproducibility. Competition is driven by factors such as the quality and reliability of these technologies, integration capabilities with existing platforms, and compliance with regulatory standards. Strategic partnerships with companies and healthcare networks play a crucial role in market positioning.

Chemoinformatics Market Companies

Some of the eminent market participants operating in the chemoinformatics industry include:

  • ACD/Labs, Inc.
  • Agilent Technologies, Inc.
  • Bio-Rad Laboratories, Inc.
  • BioSolveIT GmbH
  • Cadence Molecular Sciences LLC
  • Centara
  • ChemAxon Ltd
  • Chemical Computing Group ULC
  • Collaborative Drug Discovery Inc.
  • Dassault Systèmes
  • Jubilant Biosys Ltd
  • Molecular Discovery Ltd
  • OpenEye Scientific Software, Inc.
  • PerkinElmer Inc.
  • Schrödinger, Inc.
  • Scilligence

Chemoinformatics Industry News:

  • In February 2022, Agilent Technologies Inc. revealed its acquisition of advanced artificial intelligence (AI) technology developed by Virtual Control. This provider of AI and machine learning software specializes in developing distinctive analytical solutions for laboratory testing. Agilent intends to integrate the ACIES software into its top-tier gas chromatography and mass spectrometry (GC/MS) equipment to enhance productivity, efficiency, and precision. Thus, it increased its portfolio of chemoinformatics and gained a notable presence.
  • In October 2023, In October 2023, Cadence Molecular Sciences LLC disclosed that Pfizer Inc. has entered into an agreement to prolong and broaden its access to Cadence products and programming toolkits designed for advanced molecular design. Thus, it enhanced the product portfolio and helped to generate sales of the company.

The chemoinformatics market research report includes an in-depth coverage of the industry with estimates & forecast in terms of revenue in USD Million from 2021 – 2032 for the following segments:

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Market, By Product Type

  • Software
  • Services

Market, By Application

  • Chemical analysis
    • Chemical databases
    • Chemometrics
    • Molecular modelling
    • Other chemical analysis types 
  • Drug discovery and validation
  • Virtual screening
  • Other applications

Market, By End-use

  • Pharmaceutical and biotechnology companies
  • Academic and research institutes
  • Contract research organizations (CROs)
  • Other end-users

The above information is provided for the following regions and countries:

  • North America
    • U.S.
    • Canada
  • Europe
    • Germany
    • UK
    • France
    • Spain
    • Italy
    • Netherlands
    • Rest of Europe
  • Asia Pacific
    • Japan
    • China
    • India
    • Australia
    • South Korea
    • Rest of Asia Pacific
  • Latin America
    • Brazil
    • Mexico
    • Argentina
    • Rest of Latin America
  • Middle East and Africa
    • Saudi Arabia
    • South Africa
    • UAE
    • Rest of Middle East and Africa


Authors: Mariam Faizullabhoy, Gauri Wani

Frequently Asked Questions (FAQ) :

Chemoinformatics market size was valued at USD 3.3 billion in 2023 and is estimated to grow at 15.5% CAGR from 2024 to 2032, owing to the advancements in computational technologies.

The software segment in the chemoinformatic market will generate USD 7 billion by 2032, as it provides essential tools for analyzing, managing, and visualizing chemical data, molecular structures, and biological activities.

U.S. chemoinformatics market is anticipated to grow at 15.1% CAGR during 2024-2032, attributed to the robust ecosystem for scientific R&D activities, with significant investments in both public and private sectors.

ACD/Labs, Inc., Agilent Technologies, Inc., Bio-Rad Laboratories, Inc., BioSolveIT GmbH, Cadence Molecular Sciences LLC, Centara, ChemAxon Ltd, Chemical Computing Group ULC, Collaborative Drug Discovery Inc., and Dassault Systèmes among others.

Chemoinformatics Market Scope

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Premium Report Details

  • Base Year: 2023
  • Companies covered: 16
  • Tables & Figures: 227
  • Countries covered: 23
  • Pages: 170
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