Press Release

In Silico Drug Discovery Market to Grow with a CAGR of 7.99% through 2030

Growth of precision and personalized medicine and expansion of cloud computing and high-performance infrastructure are factors driving the Global In Silico Drug Discovery Market in the forecast period 2026-2030.

According to the TechSci Research report, “In Silico Drug Discovery Market - Global Industry Size, Share, Trends, Competition Forecast & Opportunities, 2030F”, the Global In Silico Drug Discovery Market stood at USD 3.22 billion in 2024 and is anticipated to grow with a CAGR of 7.99% through 2030. Traditional drug discovery is expensive, slow, and has a high failure rate. In-silico methods reduce the number of physical compounds needed for synthesis and testing by simulating molecular interactions digitally. This lowers early-stage screening costs and helps companies identify promising leads more quickly, improving R&D productivity.

AI and machine learning have transformed drug discovery. Tools such as generative AI, predictive modeling, and molecular docking algorithms can simulate complex biological interactions and predict drug efficacy with higher accuracy. These capabilities increase confidence that computational “hits” will translate into real drug candidates, encouraging greater investment.

 

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Earlier, computational drug discovery required large, expensive in-house infrastructure. Today, cloud platforms offer scalable, cost-effective computing power, making advanced software tools accessible to startups, mid-sized biotech firms, and academic institutions. This democratization accelerates adoption and drives competition in the market.

The Global In Silico Drug Discovery Market is segmented into Component, Workflow, Software Type, Technology, Therapeutic Area, End User, regional distribution, and company.

Based on the end user, the Contract Research Organizations segment is dominating the global In Silico Drug Discovery Market in 2024, due to their growing reliance on outsourcing drug discovery and development processes. CROs offer specialized computational platforms and expertise that allow pharmaceutical and biotech companies to accelerate preclinical studies, optimize candidate selection, and reduce overall research costs. By leveraging in silico technologies, CROs can simulate molecular interactions, predict drug efficacy, and identify potential safety concerns earlier in the development pipeline. Additionally, the rising number of partnerships between CROs and biotech firms to adopt advanced computational tools further strengthens their market position, making them the preferred end users of in silico drug discovery solutions.

The Asia Pacific is the fastest-growing region in the Global In Silico Drug Discovery Market in 2024, is driven by the increasing reliance of pharmaceutical and biotechnology companies on outsourcing to optimize research efficiency and reduce costs. CROs leverage advanced computational tools, AI-driven modeling, and predictive analytics to accelerate drug discovery while minimizing experimental failures. Their expertise allows for faster target identification, virtual screening, and lead optimization, making them a preferred partner for innovation-focused companies. Additionally, rising R&D costs, regulatory pressures, and the demand for precision medicine further reinforce CROs’ central role in in-silico drug discovery.

Major companies operating in the Global In Silico Drug Discovery Market are:

  • Aragen Life Sciences Pvt. Ltd. (GVK Biosciences Pvt. Ltd.)
  • Curia Global, Inc. (Albany Molecular Research Inc.)
  • Charles River Laboratories International, Inc.
  • Chemical Computing Group ULC. (CCG)
  • Collaborative Drug Discovery Inc. (CDD)
  • e-therapeutics plc.
  • Dassault Systèmes SE
  • Insilico Medicine, Inc.
  • Numerate, Inc.
  • Schrödinger, Inc.

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The rise of precision medicine requires analyzing massive biological datasets — such as genomic, proteomic, and clinical data — to design therapies for specific patient subgroups. In-silico platforms excel at integrating such data and predicting how a drug will perform in targeted populations, making them essential tools for personalized drug discovery, “said Mr. Karan Chechi, Research Director of TechSci Research, a research-based management consulting firm.

In Silico Drug Discovery Market - Global Industry Size, Share, Trends, Opportunity, and Forecast, 2020-2030F Segmented By Component (Software, Software-as-a-Service, Consultancy-as-a-Service), By Workflow (Discovery, Pre-Clinical Tests, Clinical Trials), By Software Type (Molecular Modeling & De Novo Drug Design Software, Pharmacophore Modeling Software), By Technology (Artificial Intelligence, Graphics Processing Unit, Others), By Therapeutic Area (Human Immunodeficiency Virus (HIV), Infectious Diseases, Metabolic Disorders, Oncology Disorders, Others), By End User (Biotechnology & Pharmaceutical Companies, Contract Research Organizations, Academic & Research Organizations, Others), By Region and Competition ”, has evaluated the future growth potential of Global In Silico Drug Discovery Market and provides statistics & information on market size, structure, and future market growth. The report intends to provide cutting-edge market intelligence and help decision makers take sound investment decisions. Besides, the report also identifies and analyzes the emerging trends along with essential drivers, challenges, and opportunities in the Global In Silico Drug Discovery Market.

 

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