AI-assisted Peptide Drug Discovery Platform Market, Share & Trends Analysis Report, By Application (Drug Design and Optimization, Hit Identification and Lead Generation, Target Validation, Preclinical Validation), By Therapeutic Area (Metabolic Disorders, Oncology, Infectious Diseases, Neurological Disorders, Inflammatory and Autoimmune Diseases, Other Areas), By Technology (Machine Learning, Deep Learning, Generative AI, Natural Language Processing, Reinforcement Learning), By End-User, Platform Access Model, By Region, and Segment Forecasts, 2025-2034

Global AI-assisted Peptide Drug Discovery Platform Market Size is predicted to grow with a 14.1 % CAGR during the forecast period for 2025-2034.

An AI-assisted peptide drug discovery platform is a technology-driven system that integrates artificial intelligence (AI) with peptide chemistry, bioinformatics, and structural biology to accelerate and enhance the discovery and development of peptide-based therapeutics. Conventional, peptide drug development begins with identifying peptide precursors, often derived from endogenous peptides produced naturally in the human body or from natural peptides found in the environment.

These precursors, present in minute quantities, exhibit potent biological effects and serve as lead molecules for therapeutic development. Many diseases, such as cancer, diabetes, or autoimmune disorders, are linked to imbalances in endogenous peptides, making them valuable drug targets. AI enhances this process by predicting peptide structure, function, and binding affinity to targets like G-protein-coupled receptors (GPCRs), kinases, and ion channels, while optimizing properties like stability, solubility, and membrane permeability.

By streamlining and enhancing these processes, AI platforms significantly reduce the time and cost associated with traditional peptide discovery pipelines.

Rising prevalence of chronic diseases, advantages of peptide drugs over traditional small-molecule drugs, their diverse biological activities (peptides are promising candidates for therapeutic applications, showing antimicrobial, antitumor and hormonal signaling capabilities), growing focus on targeted and personalized medicine, and increasing investment in R&D, and advantages of AI-assisted peptide drug discovery platforms that address the limitations of traditional methods expected to support the AI-assisted peptide drug discovery platforms market.

AI platforms are particularly effective for designing peptide therapeutics for inflammatory and autoimmune diseases, such as rheumatoid arthritis, psoriasis, inflammatory bowel disease (IBD), and multiple sclerosis, which affect millions globally. Peptides are ideal for these conditions due to their ability to precisely modulate immune pathways, such as inhibiting overactive T-cells or neutralizing disease-causing autoantibodies. For example, AI can design peptides that target specific cytokine receptors (e.g., IL-17 for psoriasis) with high affinity and minimal off-target effects.

AI also supports personalized medicine by integrating patient-specific immunological and genetic data (e.g., multi-omics data from genomics, proteomics, and transcriptomics). Machine learning models analyze these datasets to design peptides tailored to individual immune profiles, improving efficacy and reducing adverse effects. For instance, AI-driven platforms can identify peptides that modulate immune responses in patient-specific subsets of autoimmune diseases, advancing precision therapeutics.

Competitive Landscape

Some of the Major Key Players in the AI-assisted Peptide Drug Discovery Platform Market are:

• Peptilogics
• Pepticom
• Gubra
• Nuritas
• Aurigene
• Space Peptides
• Koliber Biosciences
• Cradle
• Insilico Medicine
• Fujitsu

Market Segmentation

The AI-assisted peptide drug discovery platform market is segmented based on applications, therapeutic area, technology, end-user, and platform access model. Based on application, the market is segmented into drug design and optimization, hit identification and lead generation, target validation, and preclinical validation. Based on the therapeutic area, the market is divided into metabolic disorders, oncology, infectious diseases, neurological disorders, inflammatory and autoimmune diseases, and other areas. Based on technology, the market is divided into machine learning, deep learning, generative AI, natural language processing, and reinforcement learning. Based on end-user, the market is divided into pharmaceutical and biotechnology companies, contract research organizations, academic and research institutions, startups, and SMEs. Based on the platform access model, the market is divided into pipeline licensing, technology licensing, strategic alliances, library provider, and service provider

The Drug Design and Optimization Segment is Expected to Have the Highest Growth Rate During the Forecast Period

The drug design and optimization segment is expected to grow at the highest growth rate during the forecast period. The greatest strength of AI platforms lies in their ability to design novel peptide sequences with optimal physicochemical, biological, and pharmacokinetic properties. By leveraging advanced algorithms and predictive models, AI significantly accelerates the drug design cycle, enabling the rapid identification and refinement of lead candidates. These platforms can accurately predict structure-activity relationships (SAR), which helps in optimizing peptide interactions with biological targets. Additionally, AI enhances critical drug-like properties, such as stability, solubility, and bioavailability, while also minimizing immunogenicity, ultimately improving the likelihood of clinical success.

The Oncology Segment Dominates the Market

The oncology segment is estimated to dominate the market. Cancer remains one of the leading causes of death worldwide, fueling a strong demand for innovative and targeted therapies, including peptide-based drugs. Peptides offer high specificity and can be engineered to selectively bind to tumor-associated antigens and receptors such as HER2 and EGFR, minimizing off-target toxicity and improving treatment safety. AI-assisted platforms are increasingly being utilized to design tumor-targeting peptides, personalized cancer vaccines, and immune checkpoint modulators, significantly accelerating the development of next-generation oncology therapeutics

North America Has the Largest Market Share During the Forecast Period.

North America is the market leader in the AI-assisted peptide drug discovery platform market due to The U.S. and Canada have a well-established life sciences ecosystem with a high concentration of biotech and pharmaceutical companies actively investing in peptide therapeutics and AI tools. Leading research institutions and universities play a critical role in driving early-stage innovation, particularly in computational biology and drug discovery. North America attracts the largest share of global biotech venture capital, with substantial funding directed toward AI-driven drug discovery initiatives. Government programs such as NIH funding and BARDA, along with robust private sector investments, continue to fuel advancements in peptide research. Additionally, the region is a global leader in AI, machine learning, and cloud computing technologies that are essential for the development and operation of AI-assisted peptide drug discovery platforms.

Recent Developments:

• In May 2023, Elix, Inc. and PRISM BioLab, Co. Ltd. formed a strategic alliance aimed at advancing drug discovery specifically for challenging protein-protein interaction (PPI) targets. The collaboration combines Elix’s AI drug discovery platform with PRISM BioLab’s proprietary peptide mimetic technology called PepMetics.

• In July 2022, Orion Biotechnology Canada Ltd., focused on undruggable G Protein-Coupled Receptors (GPCRs), and Peptilogics, a biotech engineering peptide therapeutics, announced a research collaboration to leverage AI for drug discovery against an undrugged GPCR linked to life-threatening diseases. The partnership integrates Peptilogics’ Nautilus™ AI platform with Orion’s proprietary drug discovery platform, combining expertise in peptide design and engineering to accelerate therapeutic development.

AI-assisted Peptide Drug Discovery Platform Market Report Scope :

Segmentation of AI-assisted Peptide Drug Discovery Platform Market

Global AI-assisted Peptide Drug Discovery Platform Market - By Application

• Drug Design and Optimization
• Hit Identification and Lead Generation
• Target Validation
• Preclinical Validation

Global AI-assisted Peptide Drug Discovery Platform Market – By Therapeutic Area

• Metabolic Disorders
• Oncology
• Infectious Diseases
• Neurological Disorders
• Inflammatory and Autoimmune Diseases
• Other Areas

Global AI-assisted Peptide Drug Discovery Platform Market – By Technology

• Machine Learning
• Deep Learning
• Generative AI
• Natural Language Processing
• Reinforcement Learning

Global AI-assisted Peptide Drug Discovery Platform Market – By End-User

• Pharmaceutical and Biotechnology Companies
• Contract Research Organizations
• Academic and Research Institutions
• Startups and SMEs

Global AI-assisted Peptide Drug Discovery Platform Market – By Platform Access Model

• Pipeline Licensing
• Technology Licensing
• Strategic Alliances
• Library Provider
• Service Provider

Global AI-assisted Peptide Drug Discovery Platform Market – By Region

North America-

• The US
• Canada

Europe-

• Germany
• The UK
• France
• Italy
• Spain
• Rest of Europe

Asia-Pacific-

• China
• Japan
• India
• South Korea
• Southeast Asia
• Rest of Asia Pacific

Latin America-

• Brazil
• Mexico
• Rest of Latin America

 Middle East & Africa-

• GCC Countries
• South Africa
• Rest of the Middle East and Africa