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Rising Drug Development Activities Fuel Growth In The Molecular Modeling Market: A Key Catalyst Accelerating Global Molecular Modeling Market Growth in 2025

11-18-2025 07:35 AM CET | Health & Medicine

Press release from: The Business Research Company

Molecular Modeling

Molecular Modeling

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Molecular Modeling Market Size Valuation Forecast: What Will the Market Be Worth by 2025?
The sphere of molecular modeling has witnessed significant expansion lately, projected to climb from a valuation of 8.25 billion USD in 2024 to 9.44 billion USD the following year, indicating a robust compound annual growth rate of 14.4%. This upward trajectory during the past period is underpinned by several key factors, including advancements in computational chemistry and molecular dynamics, the initial integration of these technologies into environmental and sustainability efforts, improvements in visualization instruments, more widespread application in the realms of enzyme and protein engineering, and the consistent progression of biomolecular modeling methodologies.

Molecular Modeling Market Size Forecast: What's the Projected Valuation by 2029?
Anticipated in the coming years is a swift expansion of the molecular modeling market's scale, projected to reach a valuation of $17.07 billion by 2029, driven by a compound annual growth rate (CAGR) of 16.0%. This upward trajectory throughout the projection interval is fueled by several factors, notably the incorporation of artificial intelligence and machine learning methodologies, the mounting necessity for innovative drug discovery and development processes, the broadening scope of applications within material science, the proliferation of precision medicine and tailored therapeutic strategies, and the augmented deployment in virtual screening techniques. Key developments shaping this period encompass progress in computational capabilities, the embedding of AI and machine learning, increased activity in pharmaceutical research and development, widening use cases in material science, and an emphasis on prognostic healare.

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What Are the Drivers Transforming the Molecular Modeling Market?
Anticipated expansion in pharmaceutical development is poised to be the impetus behind the increasing size of the molecular modeling market moving ahead. Drug development encompasses the entire spectrum from conceptualizing, formulating, examining, and ultimately achieving regulatory clearance and market launch for novel therapeutic agents or medical interventions. Molecular modeling proves indispensable across numerous phases of this development process by facilitating comprehension of how molecules interact and by enabling assessment of factors such as the stability of the protein-ligand complex, its functional dependability, and the overall effectiveness of the potential drug. To illustrate this trend with data, Canada's federal body, Accessibility Standards Canada, reported in June 2023 that the count of new drugs in clinical trials during 2022 reached 9,000, marking a significant rise compared to the roughly 8,500 compounds under investigation the previous year, 2021; consequently, this heightened pace of drug creation is what fuels the expansion observed within the molecular modeling sector.

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What Long-Term Trends Will Define the Future of the Molecular Modeling Market?
Leading firms within the field of molecular modeling are actively developing novel technological solutions, specifically molecular modeling platforms, in an effort to better serve the requirements of their current clientele. A molecular modeling platform is essentially a software package furnishing the requisite instruments for observing, mimicking, and scrutinizing molecular structures. To illustrate this progress, in August of 2023, Cresset Group, which is headquartered in the UK and specializes in drug discovery services, introduced Flare V7, a sophisticated platform designed for drug design. Flare V7 masterfully combines the strengths of techniques dependent on ligands with those based on molecular structure, thereby fostering the discovery of more potent small molecules-a significant step forward in the realm of molecular modeling. This new offering incorporates ensemble docking capabilities, enhancements to Quantum Mechanics (QM) and Quantitative Structure-Activity Relationship (QSAR) methodologies, alongside diverse utilities intended to simplify the resolution of issues encountered during Flare FEP experiments, the scrutiny of dynamic movement paths, and the preparation of ligand blueprints for detailed investigations.

Which Segments in the Molecular Modeling Market Offer the Most Profit Potential?
The molecular modelingmarket covered in this report is segmented -

1) By Product: Software; Services
2) By Approach: Molecular Mechanics Approach; Quantum Chemistry Approach
3) By Application: Drug Development; Drug Discovery; Other Applications
4) By End-User: Pharmaceutical And Biotechnology Companies; Research Centers And Academic Institutions; Other End Users

Subsegments:
1) By Software: Molecular Visualization Software; Molecular Dynamics Software; Quantum Chemistry Software; Docking Software; Simulation Software; Other Specialized Software
2) By Services: Consulting Services; Custom Modeling Services; Training And Support Services; Data Analysis Services; Cloud-Based Services

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Which Firms Dominate the Molecular Modeling Market by Market Share and Revenue in 2025?
Major companies operating in the molecular modeling market report are Thermo Fisher Scientific Inc., BioNTech SE, Dassault Systemes SE, Bruker Corporation, Qiagen N.V., Physiomics PLC, SilcsBio LLC, Compugen Ltd., Certara Inc., Schrödinger Inc., Jubilant Biosys Ltd., Simulations Plus Inc., Genedata AG, Labvantage-Biomax GmbH, Acellera Ltd., Advanced Chemistry Development Inc., Molsoft L.L.C., Nimbus Therapeutics Inc., Crown Bioscience Inc., OTAVA Ltd., Chemical Computing Group, Molport SIA, Optibrium Ltd., BioSolveIT GmbH, Cyclica Inc., Cresset Group, Cyrus Biotechnology Inc., 3D Molecular Designs LLC, Inhibrx Inc., Leadscope Inc.

Which Regions Offer the Highest Growth Potential in the Molecular Modeling Market?
North America was the largest region in the molecular modeling market in 2024. Asia-Pacific is expected to be the fastest-growing region in the forecast period. The regions covered in the molecular modeling market report are Asia-Pacific, Western Europe, Eastern Europe, North America, South America, Middle East, Africa

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