Molecular Modeling Market Research Report-Forecast till 2032

Molecular Modeling Market Research Report Information By Product (Software, Services), By Application (Drug Development, Drug Discovery), By End User (Pharmaceutical & Biotechnology Companies, Research & Academic Centers), And By Region (North America, Europe, Asia-Pacific, And Rest Of The World) –Market Forecast Till 2032.

ID: MRFR/HC/9146-HCR | 131 Pages | Author: Rahul Gotadki | March 2024         

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Global Molecular Modeling Market Overview


Molecular Modeling Market Size was valued at USD 0.25 billion in 2022. The Molecular Modeling market industry is projected to grow from USD0.289825 billion in 2023 to USD 0.94558 billion by 2032, exhibiting compound annual growth rate (CAGR) of 16.26% during the forecast period (2023 - 2032). Increased prevalence of chronic diseases leading to drug development and increasing investment in research and development by pharmaceutical and biotechnology companies are the key market drivers enhancing market growth.
Molecular Modeling Market


Source Secondary Research, Primary Research, MRFR Database, and Analyst Review


Molecular Modeling Market Trends


Technological advancements in drug design are driving the market growth


Molecular modeling is a powerful technique used for drug design. Developing new drugs with therapeutic applications is an important process in the pharmaceutical industry. In drug designing and discovery, experimental and computational techniques represent complementary approaches. However, molecular modeling is a safe and easy-to-use tool that helps investigate, interpret, explain, and identify molecular properties using three-dimensional structures. For instance, 3D modeling software is a powerful tool that helps many professionals create complex 3D graphics and visualize their work. During drug designing, molecular modeling tries to predict the structure of the intermolecular complex formed between two or more constituent molecules. Molecular modeling techniques are used in various fields of computational chemistry, computational biology, and material science to study molecular systems ranging from large biological molecules to small chemical systems. This factor drives the Market CAGR in the forecast period.


The increasing prevalence of chronic diseases is also expected to propel the growth of better and more advanced therapeutics. In such conditions, the market for molecular modeling is expected to grow during the forecast period. Furthermore, cancer-causing infections, such as hepatitis and human papillomavirus (HPV), account for approximately 30% of cancer cases in low- and lower-middle-income countries. The increasing prevalence of chronic diseases and the added advantage of drug development in providing less expensive drugs are paving the Molecular Modeling market revenue growth.


Molecular Modeling Market Segment Insights


Molecular Modeling Product Insights


Based on product, the Molecular Modeling market segmentation includes software and services. The software segment dominated the market; the market growth of this segment is attributed to the growing number of software tools developed for molecular modeling and visualization. Additionally, a growing number of companies engaged in developing molecular modeling software are expected to contribute to the molecular modeling market growth of the segment.


Figure 1 Molecular Modeling Market, by Product, 2022 & 2032 (USD billion)
Molecular Modeling Market, by Product, 2022 & 2032


Source Secondary Research, Primary Research, MRFR Database, and Analyst Review


Molecular Modeling Application Insights


Based on application, the Molecular Modeling market segmentation includes drug development and drug discovery. The drug development segment dominated the market; the increasing prevalence of various diseases and growing resistance against existing treatment drugs are increasing the demand for identifying new drug targets. The average cost of developing new drug molecules and the time to carry out research technologies are considerably high. Owing to this, many pharmaceutical companies are adopting molecular modeling techniques for drug development. This factor influences the growth of this segment in the molecular modeling market.


Molecular Modeling End User Insights


Based on end users, the Molecular Modeling market segmentation includes pharmaceutical & biotechnology companies, research & academic centers. The pharmaceutical & biotechnology companies segment dominated the market due to the rising R&D activities in drug discovery and development is the increasing application of molecular modeling by pharmaceutical and biotechnology companies, which is expected to propel the market growth of this segment.


Molecular Modeling Regional Insights


By Region, the study provides market insights into North America, Europe, Asia-Pacific, and the Rest of the World. The North American molecular modeling market area will dominate this market, owing to the presence of prominent research institutes and academic organizations promoting open access for research scientists contributes to the growth of the market in this Region.


Further, the major countries studied in the market report are The U.S., Canada, German, France, the UK, Italy, Spain, China, Japan, India, Australia, South Korea, and Brazil.


Figure 2 MOLECULAR MODELING MARKET SHARE BY REGION 2022 (%)
MOLECULAR MODELING MARKET SHARE BY REGION 2022


Source Secondary Research, Primary Research, MRFR Database, and Analyst Review


Europe's Molecular Modeling market accounts for the second-largest market share. This is due to the rise in research funding and an increasing number of clinical trials related to theoretical methods and computational techniques used to model or mimic the behavior of molecules.


Further, the German Molecular Modeling market held the largest market share, and the UK Molecular Modeling market was the fastest-growing market in the European Region.


The Asia-Pacific Molecular Modeling Market is expected to grow at the fastest CAGR from 2023 to 2032. This is due to the factors such as increasing disposable income, a growing number of research institutes, an increasing number of contract research organizations, and improving healthcare infrastructure. Moreover, China’s Molecular Modeling market held the largest market share, and the Indian Molecular Modeling market was the fastest-growing market in the Asia-Pacific region.


Molecular Modeling Key Market Players& Competitive Insights


Leading market players are investing heavily in research and development to expand their product lines, which will help the molecular modeling market grow even more. Market participants are also undertaking various strategic activities to expand their footprint, with important market developments including new product launches, contractual agreements, mergers and acquisitions, higher investments, and collaboration with other organizations. The molecular modeling industry must offer cost-effective items to expand and survive in a more competitive and rising market climate.


Manufacturing locally to minimize operational costs is one of the key business tactics manufacturers use in the Molecular Modeling industry to benefit clients and increase the market sector. The Molecular Modeling industry has offered some of the most significant medical advantages in recent years. Major players in the Molecular Modeling market, Americas, Europe, Asia-Pacific, Middle East and Africa Simulations Plus, Inc (US), Cambridge Crystallographic Data Centre (England), Optibrium (UK), Cresset (UK), BioSolvelT GmbH. (Germany), OpenEye Scientific Software (US), Chemical Computing Group (Canada), Acellera Ltd (London), Dassault Systèmes (France), Schrödinger, LLC (US), Certara, L.P (US)., and others are attempting to increase market demand by investing in research and development operations.


Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity modeling and simulation software for the pharmaceutical and biotechnology, industrial chemicals, cosmetics, food ingredients, and herbicide industries. Simulation Plus (US) released Version 9.8.1 of Gastro Plus. This version added several important new capabilities, including improvements to population simulations, dissolution, absorption, PBPK models, and drug-drug interactions.


Open Eye Scientific Software is an American software company founded by Anthony Nicholls in 1997. It develops large-scale molecular modeling applications and toolkits. Open Eye Scientific (US) announced the release of Open Eye Applications and Toolkits in 2020. It is designed to reduce the run-time of large-scale conformer generation and consists of an enhanced fragment library with more than 500,000 fragments.


Key Companies in the molecular modeling market include



  • Simulations Plus

  • Inc (US)

  • Cambridge Crystallographic Data Centre (England)

  • Optibrium (UK)

  • Cresset (UK)

  • BioSolvelT GmbH (Germany)

  • OpenEye Scientific Software (US)

  • Chemical Computing Group (Canada)

  • Acellera Ltd (London)

  • Dassault Systèmes (France)

  • Schrödinger LLC (US)


Molecular Modeling Industry Developments


January 2021 Cresset (UK) launched version V2.6 of Cresset workflow components for the KNIME and Pipeline Pilot environments for all desktop solutions. Spark components have been significantly enhanced by including the new 'docking' feature in this version.


December 2020 Open Eye Scientific (US) announced the release of Open Eye Applications and Toolkits 2020. It is designed to reduce the run-time of large-scale conformer generation and consists of an enhanced fragment library with more than 500,000 fragments.


November 2020 Cresset (UK) released a new version of Spark V10.6. This latest release includes a new docking functionality to enable users to find novel results not previously mapped by an existing starter or reference molecule.


Molecular Modeling Market Segmentation


Molecular modeling Products Outlook



  • Software

  • Services


Molecular Modeling Application Outlook



Molecular modeling End User Outlook



  • Pharmaceutical & Biotechnology Companies

  • Research & Academic Centers


Molecular Modeling Regional Outlook



  • North America

    • US

    • Canada



  • Europe

    • Germany

    • France

    • UK

    • Italy

    • Spain

    • Rest of Europe



  • Asia-Pacific

    • China

    • Japan

    • India

    • Australia

    • South Korea

    • Australia

    • Rest of Asia-Pacific



  • Rest of the World

    • Middle East

    • Africa

    • Latin America



Report Scope:

Report Attribute/Metric Details
Market Size2022 USD 0.25 billion
Market Size 2023 USD 0.289825 billion
Market Size2032 USD 0.94558 billion
Compound Annual Growth Rate (CAGR) 16.26%(2023-2032)
Base Year 2022
Market Forecast Period 2023-2032
Historical Data 2018- 2022
Market Forecast Units Value (USD Billion)
Report Coverage Revenue Forecast, Market Competitive Landscape, Growth Factors, and Trends
Segments Covered Product, Application,End User, and Region
Geographies Covered North America, Europe, AsiaPacific, and the Rest of the World
Countries Covered The U.S., Canada, German, France, UK, Italy, Spain, China, Japan, India, Australia, South Korea, and Brazil
Key Companies Profiled  Americas, Europe, Asia-Pacific, Middle East, and Africa Simulations Plus, Inc (US), Cambridge Crystallographic Data Centre (England), Optibrium (UK), Cresset (UK), BioSolvelT GmbH. (Germany), OpenEye Scientific Software (US), Chemical Computing Group (Canada), Acellera Ltd (London), Dassault Systèmes (France), and Schrödinger, LLC (US), Certara, L.P (US)
Key Market Opportunities Introduction of molecular modeling software and services in developing economies
Key Market Dynamics Increasing prevalence of various chronic diseases leading to drug development.




Frequently Asked Questions (FAQ) :

The Molecular Modeling market size was valued at USD 0.25 Billion in 2022.

The market is projected to grow at a CAGR of 16.26%during 2023-2032.

The key players in the market are Americas, Europe, Asia-Pacific, Middle East and Africa Simulations Plus, Inc (US), Cambridge Crystallographic Data Centre (England), Optibrium (UK), Cresset (UK), BioSolvelT GmbH. (Germany), OpenEye Scientific Software (US), Chemical Computing Group (Canada), Acellera Ltd (London), Dassault Systèmes (France), and Schrödinger, LLC (US), Certara, L.P (US).

The Software Molecular Modeling category dominated the market in 2022.

The Pharmaceutical & Biotechnology Companies had the largest share of the market.

Key Questions Answered

  • Global Market Outlook
  • In-depth analysis of global and regional trends
  • Analyze and identify the major players in the market, their market share, key developments, etc.
  • To understand the capability of the major players based on products offered, financials, and strategies.
  • Identify disrupting products, companies, and trends.
  • To identify opportunities in the market.
  • Analyze the key challenges in the market.
  • Analyze the regional penetration of players, products, and services in the market.
  • Comparison of major players’ financial performance.
  • Evaluate strategies adopted by major players.
  • Recommendations
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