Global computer-aided drug discovery Market
Healthcare Services

The Road Ahead for the Computer-Aided Drug Discovery Market: Key Growth Trends and Opportunities to Watch

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What CAGR is Anticipated for the Computer-Aided Drug Discovery Market During the Forecast Period, and Why?

The market size of computer-assisted drug discovery has seen a swift expansion in the past few years. The market, which was valued at $6.69 billion in 2024, is projected to escalate to $7.56 billion in 2025, signaling a compound annual growth rate (CAGR) of 12.9%. The surge in growth during this historical phase can be credited to factors like enhanced computational power, notable improvements in molecular modeling, increasing demands from the pharmaceutical sector, support from regulatory agencies, and collaborative efforts.

The market size of computer-aided drug discovery is slated for swift expansion in the upcoming years, with an expected growth to $12.19 billion in 2029, marking a compound annual growth rate (CAGR) of 12.7%. Factors propelling this growth during the forecast period include the integration of AI and ML into drug discovery methodologies, the shift towards personalised medication, a rise in the accessibility of big data, and the growth and acceptance of cloud-based platforms for CADD, as well as the development of fresh therapeutics. Key trends during the forecast period encapsulate a tendency towards collaboratory efforts among various stakeholders, the broadening of AI-pushed platforms that provide comprehensive solutions, advances in drug discovery, and product innovations.

What Drivers Are Shaping the Growth of the Computer-Aided Drug Discovery Market?

The escalating incidence of cancer is anticipated to stimulate the expansion of the computer-aided drug discovery market. Cancer refers to a collection of ailments marked by the unregulated growth and replication of anomalous cells in the body. The surge in cancer incidents can be attributed to various elements like lifestyle modifications, urbanization, environmental pollution, tobacco and alcohol intake, healthcare availability, and awareness. Computer-aided drug discovery has the potential to aid in the development of drugs aimed at cancer cells with specific genetic alterations, laying a foundation for more individualized and successful cancer treatments. As an example, the National Cancer Institute, a US-based organization for cancer research and training, reported nearly 20 million fresh cases and 9.7 million cancer-related deaths in May 2024. By 2040, these numbers are expected to markedly increase, with a predicted 29.9 million new cases and 15.3 million deaths each year. Thus, the proliferating trend of cancer cases propels the computer-aided drug discovery market.

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Which Companies Are Poised to Shape the Future of the Computer-Aided Drug Discovery Market?

Major companies operating in the computer-aided drug discovery market are Dassault Systèmes SE, PerkinElmer Inc., Roivant Sciences Ltd., Certara Inc., Schrödinger Inc., XtalPi Inc., Dotmatics Limited, Simulations Plus Inc., ChemAxon Ltd., Exscientia Ltd., Insilico Medicine Inc., Collaborative Drug Discovery Inc., OpenEye Scientific Software Inc., Nimbus Therapeutics LLC, Atomwise Inc., GNS Healthcare Inc., BenevolentAI Limited, EpiVax Inc., Numerate Inc., Cloud Pharmaceuticals Inc., Aris Pharmaceuticals Inc., Cyclica Inc., BioSolveIT GmbH, Chemical Computing Group ULC, InSilicoTrials Technologies S.p.A

What Are the Latest Innovations and Trends Influencing the Computer-Aided Drug Discovery Market?

Leading organizations within the computer-aided drug discovery (CADD) sector are utilizing cutting-edge technologies, such as artificial intelligence, to improve the precision, rapidity, and efficiency of possible drug candidate identification, optimize leading compounds, and advance personalized medication development. The integration of artificial intelligence in drug discovery involves the application of AI capabilities like machine learning and deep learning, along with sophisticated algorithms, to expedite and refine the process of discovering and creating new drugs. In December 2023, Germany’s Merck KGaA, a pioneer in the science and technology field, presented AIDDISONTM, the inaugural platform for the software-as-a-service that amalgamates drug discovery and synthesis. Through its fusion of generative artificial intelligence, machine learning, and computer-aided drug design, AIDDISONTM expedites drug development by virtually evaluating compounds from over 60 billion chemical targets and suggesting ideal synthesis routes. The platform has undergone training with two decades’ worth of pharmaceutical R&D data in order to pinpoint drug-like candidates associated with non-toxicity and stability. AIDDISONTM, integrated with Merck’s SynthiaTM retrosynthesis API, refines drug production focusing on efficiency and sustainability, aiming to minimize drug discovery costs and duration.

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Which Key Segments Define the Structure of the Computer-Aided Drug Discovery Market and Their Growth Potential?

The computer-aided drug discoverymarket covered in this report is segmented –

1) By Type: Structure Based Drug Design, Ligand-Based Drug Design, Sequence-Based Approaches

2) By Therapeutic Area: Oncology, Neurology, Cardiovascular Disease, Respiratory Disease, Diabetes, Other Therapeutic Areas

3) By End User: Pharmaceutical Companies, Biotechnology Companies, Research Laboratories

Subsegments:

1) By Structure Based Drug Design: X-ray Crystallography, Nuclear Magnetic Resonance (NMR) Spectroscopy, Molecular Docking Studies, Virtual Screening

2) By Ligand-Based Drug Design: Quantitative Structure-Activity Relationship (QSAR) Models, Pharmacophore Modeling, Ligand Similarity Searching, Fragment-Based Drug Design

3) By Sequence-Based Approaches: Protein Structure Prediction, Homology Modeling, Bioinformatics for Drug Target Identification, Genomic Data Analysis for Drug Discovery

What Regions Are Contributing Significantly to the Growth of the Computer-Aided Drug Discovery Market?

North America was the largest region in the computer-aided drug discovery (CADD) market in 2024. The regions covered in the computer-aided drug discovery market report are Asia-Pacific, Western Europe, Eastern Europe, North America, South America, Middle East, Africa.

What Key Elements Shape the Definition of the Computer-Aided Drug Discovery Market?

Computer-aided drug discovery (CADD) refers to a methodology that employs computational techniques and algorithms to accelerate the drug discovery process. It involves the use of computer software and advanced technologies to identify, design, and optimize potential drug candidates for specific biological targets.

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