The Computer-Aided Drug Design (CADD) market is witnessing remarkable growth globally, driven by rising R&D investments, increasing demand for efficient drug discovery, and rapid technological advancements. Between 2025 and 2034, the market is projected to accumulate hundreds of millions in revenue, reflecting its strategic importance in the pharmaceutical and biotech industries.
Key Market Highlights
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North America dominated the CADD market in 2024, accounting for approximately 45% of the global revenue.
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Asia-Pacific is projected to be the fastest-growing region during the forecast period.
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Structure-Based Drug Design (SBDD) led the market by type, holding a 55% revenue share in 2024.
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Ligand-Based Drug Design (LBDD) is anticipated to exhibit the highest CAGR in the coming years.
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Molecular Docking technology led in 2024 with a 40% share of the market.
Let’s explore the top companies driving innovation and growth in the CADD market.
1. Schrödinger, Inc.
About: Schrödinger is a pioneer in computational drug discovery and materials science. Founded in 1990 and headquartered in New York, it leverages physics-based software to accelerate the drug discovery process.
Products: Maestro, LiveDesign, and Glide molecular docking software.
Market Cap: Approx. $3.8 billion (2025).
2. BIOVIA (Dassault Systèmes)
About: BIOVIA, a division of Dassault Systèmes, delivers advanced software solutions for life sciences. It focuses on collaborative science and molecular modeling.
Products: Discovery Studio, Pipeline Pilot, and Materials Studio.
Market Cap: Parent company Dassault Systèmes at $60+ billion.
3. Certara
About: Certara specializes in biosimulation software and technology-driven drug development. It is a leading provider for model-informed drug development.
Products: Simcyp Simulator, Phoenix WinNonlin.
Market Cap: Approx. $3.1 billion (2025).
4. Cresset
About: Cresset offers innovative solutions for molecular discovery using computational chemistry tools. Based in the UK, it serves pharma and agrochemical industries.
Products: Flare, Forge, and Spark molecular modeling tools.
Market Cap: Private company (market cap undisclosed).
5. OpenEye Scientific Software
About: Founded in 1997, OpenEye provides robust scientific software for molecular modeling and cheminformatics.
Products: Orion cloud platform, ROCS, and OMEGA conformer generator.
Market Cap: Private company (market cap undisclosed).
6. ChemAxon
About: ChemAxon is a Hungary-based software company focused on chemical informatics platforms for drug discovery.
Products: MarvinSketch, JChem, and Instant JChem.
Market Cap: Private company (market cap undisclosed).
7. Accelrys (now part of BIOVIA)
About: Previously a standalone company, Accelrys merged with Dassault Systèmes to form BIOVIA, expanding its reach in scientific informatics.
Products: Materials Studio, Discovery Studio (now under BIOVIA).
Market Cap: See BIOVIA under Dassault Systèmes.
8. Elsevier (PharmaPendium)
About: Elsevier provides PharmaPendium, a tool for drug development decisions, under its extensive research and analytics portfolio.
Products: PharmaPendium, Reaxys.
Market Cap: Parent RELX Group approx. $67 billion (2025).
9. Molsoft LLC
About: Based in California, Molsoft develops software solutions for molecular modeling, docking, and virtual screening.
Products: ICM-Pro, ICM-Chemist.
Market Cap: Private company (market cap undisclosed).
10. ChemDiv, Inc.
About: ChemDiv provides discovery chemistry services and proprietary libraries for drug design.
Products: ChemDiv Libraries, ChemGPS tools.
Market Cap: Private company (market cap undisclosed).
11. Simulations Plus, Inc.
About: Simulations Plus delivers modeling and simulation software for pharmaceutical R&D, focusing on ADMET predictions.
Products: GastroPlus, ADMET Predictor.
Market Cap: Approx. $1.5 billion (2025).
12. Insilico Medicine
About: A leader in AI-driven drug discovery, Insilico Medicine integrates deep learning with CADD to accelerate therapeutic development.
Products: PandaOmics, Chemistry42.
Market Cap: Estimated at $600 million (2025).
Recent Developments in the CADD Market
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AI integration: Companies like Insilico Medicine are pioneering AI-based approaches in CADD.
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Cloud-based platforms: OpenEye’s Orion and Schrödinger’s LiveDesign show a shift toward SaaS models.
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Collaborations & M&A: Strategic partnerships, like Certara’s collaborations with pharma giants, are fueling market expansion.
Source : https://www.towardshealthcare.com/insights/computer-aided-drug-design-cadd-market-sizing
