Molecular Modeling Market Report Scope & Overview:

The Molecular Modeling Market Size was valued at USD 7.07 billion in 2022 and is expected to reach USD 19.90 billion by 2030 and grow at a CAGR of 13.8% over the forecast period 2023-2030.

Molecular modelling software is used to produce 3D computer models of molecules' structure and nature. This is really useful since it allows them to alter the molecules. They can then comprehend how certain medications would interact with humans. This is significantly more effective and safer than testing drugs on laboratory animals.

Molecular Modeling Market Revenue Analysis

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When creating new pharmaceuticals and assessing them for potential side effects, molecular modelling software was used. However, due to its utility, it is now being employed in computational chemistry and materials science research and projects.

The increasing prevalence of chronic diseases is expected to fuel the development of increasingly advanced and effective treatments. In such cases, the molecular modelling market is expected to grow over the forecast period.



  • The increased prevalence of several chronic diseases has encouraged the development of novel medications.

  • Pharmaceutical and biotechnology firms are expanding their R&D expenditures.


  • Molecular Modeling Software Is More Expensive

  • In low and middle-income economies, there is a shortage of skilled healthcare IT professionals.


  • Inclusion of Molecular Modeling Software and Services in Emerging Markets

  • New generation of potent pharmaceuticals that are more effective than predecessors and can command higher pricing


COVID-19 made its debut in the world in the spring of last year. This virus appeared to be little more than an annoyance at first. However, some people who got it needed to be hospitalised, and only a small fraction of them died as a result of it. Furthermore, because the antibodies were short-lived, persons who recovered from it could contract it again. They may also experience long-term negative effects such as diabetes and partial brain damage.

COVID-19 had to be contained, governments understood. That is why quarantines and lockdowns were instituted. This was somewhat successful. However, the virus had a significant impact on numerous businesses. The global market for molecular modelling was no exception. The molecular modelling market is predicted to increase rapidly in the next years.

The software segment will expand at the fastest CAGR between 2023 and 2030.

The Global Molecular Modeling Market is classified into three applications: drug development, drug discovery, and others. The expanding prevalence of a variety of diseases, as well as the increasing resistance to existing treatment drugs, is increasing the demand for new pharmacological targets. The average cost of developing new pharmaceutical substances, as well as the time required to carry out research technologies, is relatively high. As a result, several pharmaceutical companies are turning to molecular modelling to find novel medications. This factor influences the global molecular modelling market growth of this category.

The global Molecular Modeling market is divided into two product categories: software and services. Many molecular design processes, including as molecular modelling, chemical structure calculations, protein simulations, and other operations in drug design and bioinformatics, are assisted by molecular modelling software. Furthermore, molecular modelling software can be used in a variety of scientific fields, such as computational chemistry and material sciences.

According to WHO data published in 2021, cancer is the second largest cause of death worldwide. It is responsible for 10 million deaths per year. Furthermore, cancer-causing illnesses such as hepatitis and human papillomavirus (HPV) account for more than one-third of cancer incidence in low- and lower-middle-income countries. The increased prevalence of chronic diseases, combined with the additional benefit of drug research in providing lower-cost treatments, is moving the molecular modelling business forward.


With the increased discovery and development of novel pharmaceuticals, the usage of molecular modelling for the suitable research of the drug molecule is increasing. As a result of the increasing use of molecular modelling, a huge number of players are interested in developing a new product. The value chain study of the molecular modelling market includes four primary components, beginning with the software development process and design, moving on to outputs, marketing, and distribution, and concluding with post-sales services.

An outsourcing system is used in the software development process. Outsourcing eliminates all activities associated with software development processes and only produces finished software that is ready for use. Application software and system software platforms are examples of outputs. Application software is typically utilised for both general and particular tasks.

Marketing and distribution for these industries are similar to the entire software industry. The only difference is the end users. The molecular modelling market is entirely focused on the healthcare industry. Because molecular modelling is produced for a specific purpose, post-selling services are essential in the market. Training and certification, as well as maintenance and support, are examples of these services.


by End-user

  • Pharmaceutical & Biotechnology Companies

  • Research & Academic Centers

by Product

  • Software

  • Services

by Application

Molecular Modeling Market Segmentation Analysis

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In 2021, the North American area dominated the molecular modelling market. Given that the majority of large pharmaceutical and biotech companies are based in the United States or Canada, this is anticipated to continue until at least 2028.

Many prominent corporations have formed strategic alliances. This has enabled them to increase their investment in research and development. The end result has been incredible since it has enabled them to create a new generation of more effective and potent medications. These medications are manufactured in accordance with strict national and international standards.

For the anticipated time period, the Asia-Pacific molecular modelling market is expected to have the greatest CAGR of any region in the world. This is largely due to the rise of contract research organisations (especially in countries like India and Singapore.) Governments around the Asia-Pacific area are likewise becoming significantly wealthier. This has enabled them to invest more in healthcare. They are increasingly funding experiments that employ molecular modelling tools, and the results are astounding. This region's biotech and pharmaceutical industries are capable of developing a new generation of more strong and effective treatments with fewer adverse effects.


  • North America

    • USA

    • Canada

    • Mexico

  • Europe

    • Germany

    • UK

    • France

    • Italy

    • Spain

    • The Netherlands

    • Rest of Europe

  • Asia-Pacific

    • Japan

    • south Korea

    • China

    • India

    • Australia

    • Rest of Asia-Pacific

  • The Middle East & Africa

    • Israel

    • UAE

    • South Africa

    • Rest of Middle East & Africa

  • Latin America

    • Brazil

    • Argentina

    • Rest of Latin America


The Major players are BioSolveIT GmbH, OpenEye Scientific Software, Certara, L.P, Cambridge Crystallographic Data Centre, Optibrium, Cresset, Dassault Systèmes, Schrödinger, LLC, Chemical Computing Group, Acellera Ltd. and Other Players.

Cambridge Crystallographic Data Centre-Company Financial Analysis

Company Landscape Analysis

Molecular Modeling Market Report Scope:
Report Attributes Details
Market Size in 2022 US$ 7.07 Billion
Market Size by 2030 US$ 19.90 Billion
CAGR CAGR of 13.8% From 2023 to 2030
Base Year 2022
Forecast Period 2023-2030
Historical Data 2020-2021
Report Scope & Coverage Market Size, Segments Analysis, Competitive  Landscape, Regional Analysis, DROC & SWOT Analysis, Forecast Outlook
Key Segments • by End-user (Pharmaceutical & Biotechnology Companies, Research & Academic Centers)
• by Product (Software and Services)
• by Application (Drug Development, Drug Discovery, and Others)
Regional Analysis/Coverage North America (USA, Canada, Mexico), Europe
(Germany, UK, France, Italy, Spain, Netherlands,
Rest of Europe), Asia-Pacific (Japan, South Korea,
China, India, Australia, Rest of Asia-Pacific), The
Middle East & Africa (Israel, UAE, South Africa,
Rest of Middle East & Africa), Latin America (Brazil, Argentina, Rest of Latin America)
Company Profiles BioSolveIT GmbH, OpenEye Scientific Software, Certara, L.P, Cambridge Crystallographic Data Centre, Optibrium, Cresset, Dassault Systèmes, Schrödinger, LLC, Chemical Computing Group, Acellera Ltd.
Key Drivers • Pharmaceutical and biotechnology firms are expanding their R&D expenditures.
RESTRAINTS • Molecular Modeling Software Is More Expensive
• In low and middle-income economies, there is a shortage of skilled healthcare IT professionals.

Frequently Asked Questions

Ans: The Molecular Modeling Market Size was valued at USD 7.07 billion in 2022.

Ans: The North American region is dominating the market.

  • The increased prevalence of several chronic diseases has encouraged the development of novel medications.
  • Pharmaceutical and biotechnology firms are expanding their R&D expenditures.

Ans: The major players are BioSolveIT GmbH, OpenEye Scientific Software, Certara, L.P, Cambridge Crystallographic Data Centre, Optibrium, Cresset, Dassault Systèmes, Schrödinger, LLC, Chemical Computing Group, Acellera Ltd., and others in the final report.

Ans: The Molecular Modeling Market is to grow at a CAGR of 13.8% over the forecast period 2023-2030.

Table of Contents

1. Introduction

1.1 Market Definition

1.2 Scope

1.3 Research Assumptions

2. Research Methodology

3. Market Dynamics

3.1 Drivers

3.2 Restraints

3.3 Opportunities

3.4 Challenges

4. Impact Analysis

4.1 COVID-19 Impact Analysis

4.2 Impact of Ukraine- Russia War

4.3 Impact of Ongoing Recession

4.3.1 Introduction

4.3.2 Impact on major economies US Canada Germany France United Kingdom China Japan South Korea Rest of the World

5. Value Chain Analysis

6. Porter’s 5 forces model

7.  PEST Analysis

8. Molecular Modelling Market Segmentation, by End-user

8.1 Pharmaceutical & Biotechnology Companies

8.2 Research & Academic Centers

9. Molecular Modelling Market Segmentation, by Product

9.1 Software

9.2 Services

10. Molecular Modelling Market Segmentation, by Application

10.1 Drug Development

10.2 Drug Discovery

10.3 Others

11. Regional Analysis

11.1 Introduction

11.2 North America

11.2.1 USA

11.2.2 Canada

11.2.3 Mexico

11.3 Europe

11.3.1 Germany

11.3.2 UK

11.3.3 France

11.3.4 Italy

11.3.5 Spain

11.3.6 The Netherlands

11.3.7 Rest of Europe

11.4 Asia-Pacific

11.4.1 Japan

11.4.2 South Korea

11.4.3 China

11.4.4 India

11.4.5 Australia

11.4.6 Rest of Asia-Pacific

11.5 The Middle East & Africa

11.5.1 Israel

11.5.2 UAE

11.5.3 South Africa

11.5.4 Rest

11.6 Latin America

11.6.1 Brazil

11.6.2 Argentina

11.6.3 Rest of Latin America

12. Company Profiles

12.1 BioSolveIT GmbH

12.1.1 Financial

12.1.2 Products/ Services Offered

12.1.3 SWOT Analysis

12.1.4 The SNS view

12.2 OpenEye Scientific Software

12.3 Certara, L.P

12.4 Cambridge Crystallographic Data Centre

12.5 Optibrium

12.6 Cresset

12.7 Dassault Systèmes

12.8 Schrödinger, LLC

12.9 Chemical Computing Group

12.10 Acellera Ltd

13. Competitive Landscape

13.1 Competitive Benchmarking

13.2 Market Share Analysis

13.3 Recent Developments

14. Conclusion

An accurate research report requires proper strategizing as well as implementation. There are multiple factors involved in the completion of good and accurate research report and selecting the best methodology to compete the research is the toughest part. Since the research reports we provide play a crucial role in any company’s decision-making process, therefore we at SNS Insider always believe that we should choose the best method which gives us results closer to reality. This allows us to reach at a stage wherein we can provide our clients best and accurate investment to output ratio.

Each report that we prepare takes a timeframe of 350-400 business hours for production. Starting from the selection of titles through a couple of in-depth brain storming session to the final QC process before uploading our titles on our website we dedicate around 350 working hours. The titles are selected based on their current market cap and the foreseen CAGR and growth.


The 5 steps process:

Step 1: Secondary Research:

Secondary Research or Desk Research is as the name suggests is a research process wherein, we collect data through the readily available information. In this process we use various paid and unpaid databases which our team has access to and gather data through the same. This includes examining of listed companies’ annual reports, Journals, SEC filling etc. Apart from this our team has access to various associations across the globe across different industries. Lastly, we have exchange relationships with various university as well as individual libraries.

Secondary Research

Step 2: Primary Research

When we talk about primary research, it is a type of study in which the researchers collect relevant data samples directly, rather than relying on previously collected data.  This type of research is focused on gaining content specific facts that can be sued to solve specific problems. Since the collected data is fresh and first hand therefore it makes the study more accurate and genuine.

We at SNS Insider have divided Primary Research into 2 parts.

Part 1 wherein we interview the KOLs of major players as well as the upcoming ones across various geographic regions. This allows us to have their view over the market scenario and acts as an important tool to come closer to the accurate market numbers. As many as 45 paid and unpaid primary interviews are taken from both the demand and supply side of the industry to make sure we land at an accurate judgement and analysis of the market.

This step involves the triangulation of data wherein our team analyses the interview transcripts, online survey responses and observation of on filed participants. The below mentioned chart should give a better understanding of the part 1 of the primary interview.

Primary Research

Part 2: In this part of primary research the data collected via secondary research and the part 1 of the primary research is validated with the interviews from individual consultants and subject matter experts.

Consultants are those set of people who have at least 12 years of experience and expertise within the industry whereas Subject Matter Experts are those with at least 15 years of experience behind their back within the same space. The data with the help of two main processes i.e., FGDs (Focused Group Discussions) and IDs (Individual Discussions). This gives us a 3rd party nonbiased primary view of the market scenario making it a more dependable one while collation of the data pointers.

Step 3: Data Bank Validation

Once all the information is collected via primary and secondary sources, we run that information for data validation. At our intelligence centre our research heads track a lot of information related to the market which includes the quarterly reports, the daily stock prices, and other relevant information. Our data bank server gets updated every fortnight and that is how the information which we collected using our primary and secondary information is revalidated in real time.

Data Bank Validation

Step 4: QA/QC Process

After all the data collection and validation our team does a final level of quality check and quality assurance to get rid of any unwanted or undesired mistakes. This might include but not limited to getting rid of the any typos, duplication of numbers or missing of any important information. The people involved in this process include technical content writers, research heads and graphics people. Once this process is completed the title gets uploader on our platform for our clients to read it.

Step 5: Final QC/QA Process:

This is the last process and comes when the client has ordered the study. In this process a final QA/QC is done before the study is emailed to the client. Since we believe in giving our clients a good experience of our research studies, therefore, to make sure that we do not lack at our end in any way humanly possible we do a final round of quality check and then dispatch the study to the client.

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