Press release
Computer-Aided Drug Discovery (CADD) Market to Reach USD 7.9 Billion by 2030
Computer-Aided Drug Discovery (CADD) Market
Pune, India - Exactitude Consultancy announces new insights on the Computer-Aided Drug Discovery (CADD) Market, highlighting rapid expansion driven by AI-powered molecular design, in-silico simulation, MD (molecular dynamics), virtual screening, and structure-based drug development. As pharmaceutical R&D costs surge and timelines stretch, CADD is becoming a mission-critical technology for next-generation therapeutics.
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Key Takeaways
• Market Size (2030): USD 7.9 Billion
• CAGR (2025-2030): 11.6%
• Structure-based drug design (SBDD) dominates market share.
• AI-enabled large-scale virtual screening fast becoming industry standard.
• North America leads CADD adoption; Asia Pacific grows fastest due to biotech expansion.
Market Story: Why CADD Is Transforming the Drug Discovery Landscape
Drug discovery is increasingly shifting from experiment-heavy wet-lab processes toward AI-enabled, computationally powered methodologies that accelerate hit identification, optimize lead compounds, and simulate drug-protein interactions with high precision.
CADD tools enable researchers to:
• Model 3D structures of drug targets
• Predict molecular interactions using docking & molecular dynamics
• Perform ultra-high-throughput virtual screening
• Reduce experimental costs & trial failures
• Optimize ADMET profiles early in the pipeline
• Accelerate new drug design using AI & deep learning
• Identify drug repurposing opportunities
Pharma and biotech companies are adopting advanced computational toolkits to shorten discovery cycles and improve clinical success rates.
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Market Segments
By Technology
• Structure-Based Drug Design (SBDD) - Largest segment
• Ligand-Based Drug Design (LBDD)
• Molecular Docking
• Molecular Dynamics Simulations
• Pharmacophore Modeling
• QSAR Modeling
• AI-Driven Drug Discovery
• Quantum Computing-Assisted CADD (emerging)
By Application
• Oncology - Highest adoption due to complex cancer targets
• Neurology
• Infectious Diseases
• Cardiovascular Disorders
• Immunology & Autoimmune Diseases
• Rare & Orphan Diseases
• Metabolic Disorders
By End User
• Pharmaceutical Companies
• Biotechnology Firms
• Contract Research Organizations (CROs)
• Academic & Government Research Institutes
• AI/Computational Drug Discovery Startups
By Deployment
• Cloud-Based CADD Platforms (Fastest Growing)
• On-Premise Software
• Hybrid Computational Workflows
By Region
• North America - Leading due to strong AI & supercomputing hubs
• Europe - High CADD adoption driven by strong research collaborations
• Asia Pacific - Fastest CAGR due to growing biotech ecosystems
• Latin America - Increasing investment in infectious disease drug discovery
• Middle East & Africa - Emerging adoption via research grants & partnerships
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Recent Developments
• Schrödinger expanded its AI-enabled platform for predictive molecular modeling.
• Atomwise advanced deep-learning virtual screening for small-molecule leads.
• Exscientia progressed AI-designed drug candidates into clinical trials.
• Insilico Medicine used generative AI to discover novel drug targets and molecules.
• IBM deployed quantum computing toolkits for next-generation molecular simulation.
Expert Quote
"Computer-aided drug discovery is rapidly becoming the backbone of modern pharmaceutical R&D. With AI-driven simulations, predictive modeling, and high-throughput virtual screening, companies can accelerate drug development while reducing costs and improving precision,"
- Irfan Tamboli, Business Development Executive, Exactitude Consultancy
Key Drivers
• Rising costs & complexity of traditional drug development
• Rapid adoption of AI, ML & deep learning for molecular design
• Expansion of precision medicine & novel therapeutic targets
• Growing demand for faster hit-to-lead and lead optimization
• Increased adoption of cloud + HPC (high-performance computing)
• Advances in structural biology, cryo-EM, and protein modeling
Forecast Outlook (2025-2030)
The market will grow at a steady 11.6% CAGR, powered by expanding computational tools, AI-enabled chemistry, deeper integration of quantum simulation, and increasing cloud accessibility for global discovery teams. By 2030, CADD will be standard practice across drug discovery pipelines.
Regional Insights
• North America:
o Dominates due to strong AI research clusters and large pharma investments
• Europe:
o High adoption of in-silico tools in early drug discovery
• Asia Pacific:
o Fastest-growing due to China, India, and South Korea's biotech boom
Conclusion
Computer-Aided Drug Discovery is catalyzing a major shift toward data-driven, simulation-powered therapeutics development. As AI and computational models advance, CADD will deliver faster, more accurate, and more cost-efficient drug discovery-redefining the future of global pharmaceuticals.
This report is also available in the following languages : Japanese (コンピュータ支援創薬市場), Korean (컴퓨터 지원 약물 발견 시장), Chinese (计算机辅助药物发现市场), French (Marché de la découverte de médicaments assistée par ordinateur), German (Markt für computergestützte Wirkstoffforschung), and Italian (Mercato della scoperta di farmaci assistita da computer), etc.
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Connect Us:
Irfan Tamboli
PHONE NUMBER +1 (704) 266-3234
EMAIL ADDRESS: sales@exactitudeconsultancy.com
About Us
Exactitude Consultancy is a market research & consulting services firm which helps its client to address their most pressing strategic and business challenges. Our market research helps clients to address critical business challenges and also helps make optimized business decisions with our fact-based research insights, market intelligence, and accurate data.
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