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Molecular Modeling Market to Reach USD 19.90 Billion by 2030 Driven by Rising Adoption in Drug Discovery and Material Science Applications


The global molecular modeling market size was valued at USD 7.07 billion in 2022 and is expected to reach USD 19.90 billion by 2030, registering a robust compound annual growth rate (CAGR) of 13.8% over the forecast period from 2023 to 2030, according to a new market research report by SNS Insider

The Molecular Modeling Market encompasses a wide array of software, services, and applications utilized across pharmaceuticals, biotechnology, chemical industries, and academic research. It involves the use of computational techniques to simulate molecular structures, predict properties, and optimize drug discovery processes. The scope of this market includes software platforms, consulting services, and collaborative ventures aimed at enhancing molecular modeling capabilities.

Market Analysis

Several factors contribute to the remarkable growth of the Molecular Modeling Market. The increasing adoption of in silico drug discovery approaches, driven by the need for cost-effective and time-efficient drug development, serves as a primary catalyst. Additionally, advancements in computational algorithms, cloud computing, and machine learning techniques have bolstered the accuracy and efficiency of molecular modeling simulations. Moreover, the rising prevalence of chronic diseases and the demand for personalized medicine further fuel the market’s expansion.

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Key Takeaways from the Molecular Modeling Market Study:

  • Increasing R&D spending in pharmaceutical and biotechnology industries, rising adoption in material science research are key growth drivers
  • The software segment accounted for the largest revenue share in 2022 due to growing demand for advanced molecular modeling and simulation tools
  • North America dominated the market in 2022 owing to well-established life sciences and material science industries, strong academic & research institutions
  • Asia Pacific is anticipated to register the highest CAGR from 2023-2030 driven by increasing R&D investments, rising adoption across industries

Regional Analysis:

  • North America (38.9% revenue share in 2022): Largest market propelled by robust pharmaceutical R&D activities, presence of leading software vendors
  • Europe (27.6%): Growing adoption in drug discovery, material science research driving market expansion
  • Asia Pacific (21.4%): Rapidly growing market due to increasing R&D expenditure, economic growth, cost advantages

List of Molecular Modeling Companies Profiled in Report:

Key Developments in the Molecular Modeling Market:

  • In 2023, Schrödinger acquired a leading molecular design software company to strengthen its modeling capabilities and expand its offerings
  • Dassault Systèmes and Molecular Dimensions partnered in 2022 to develop an integrated molecular modeling and simulation platform
  • Launch of AI/ML-powered modeling software, cloud-based solutions by major players to enhance accuracy and accessibility

Emerging Trends and Opportunities

The Molecular Modeling Market is witnessing the emergence of several transformative trends and opportunities:

  • Integration of Artificial Intelligence (AI): AI and machine learning algorithms are revolutionizing molecular modeling by enabling predictive analytics, virtual screening, and de novo drug design with unprecedented speed and accuracy.
  • Expansion into Material Science: Beyond pharmaceuticals, molecular modeling is increasingly applied in material science for designing novel materials with tailored properties, such as strength, conductivity, and flexibility.
  • Collaborative Research Initiatives: Cross-industry collaborations and academic-industry partnerships are fostering innovation by combining expertise in chemistry, biology, and computational sciences to tackle complex scientific challenges.
  • Cloud-Based Solutions: The shift towards cloud-based molecular modeling platforms offers scalability, flexibility, and accessibility, allowing researchers to perform simulations remotely and collaborate seamlessly.
  • Focus on Sustainability: There is a growing emphasis on green chemistry and sustainability in molecular modeling, driving the development of eco-friendly processes and renewable materials.

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Molecular Modeling Market
Molecular Modeling Market

Challenges and Considerations

Despite the promising growth prospects, the Molecular Modeling Market faces several challenges and considerations:

  • Data Quality and Accessibility: The reliability and accessibility of molecular data remain critical challenges, hindering the accuracy and generalizability of modeling predictions.
  • Ethical and Regulatory Frameworks: The ethical implications of AI-driven drug discovery and the regulatory landscape surrounding virtual screening and computational modeling require careful consideration to ensure patient safety and regulatory compliance.
  • Skill Gap and Training: The complexity of molecular modeling techniques necessitates specialized skills and training, highlighting the importance of workforce development and education in computational chemistry and bioinformatics.
  • Interoperability and Standards: The lack of interoperability and standardization across molecular modeling software platforms poses interoperability challenges and impedes data sharing and collaboration among researchers.
  • Infrastructure and Resource Constraints: Access to high-performance computing resources and infrastructure constraints can limit the scalability and accessibility of molecular modeling simulations, particularly for small research institutions and developing countries.

List of Molecular Modeling Companies Profiled in Report:

  • BioSolveIT GmbH
  • OpenEye Scientific Software
  • Certara
  • Cambridge Crystallographic Data Centre
  • Optibrium
  • Cresset
  • Dassault Systèmes
  • Schrödinger LLC
  • Chemical Computing Group
  • Acellera Ltd

Molecular Modeling Industry Segmentation as Follows:

by End-user

  • Pharmaceutical & Biotechnology Companies
  • Research & Academic Centers

by Product

  • Software
  • Services

by Application

  • Drug Development
  • Drug Discovery
  • Others

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Table of Content

Chapter 1 Introduction

Chapter 2 Research Methodology

Chapter 3 Molecular Modeling Market Dynamics

Chapter 4 Impact Analysis (COVID-19, Ukraine- Russia war, Ongoing Recession on Major Economies)

Chapter 5 Value Chain Analysis

Chapter 6 Porter’s 5 forces model

Chapter 7 PEST Analysis

Chapter 8 Molecular Modeling Market Segmentation, By End-user

Chapter 9 Molecular Modeling Market Segmentation, By Product

Chapter 10 Molecular Modeling Market Segmentation, By Application

Chapter 11 Regional Analysis

Chapter 12 Company profile

Chapter 13 Competitive Landscape

Chapter 14 Use Case and Best Practices

Chapter 15 Conclusion

Continued…

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