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Drug Discovery Informatics Market

Pages: 210 | Base Year: 2024 | Release: July 2025 | Author: Versha V.

Market Definition

Drug discovery informatics is the use of computational tools, data analysis and information systems to support and enhance the drug discovery process. It involves managing and analyzing chemical, biological and clinical data to identify potential drug candidates, understand disease pathways and predict drug-target interactions. 

This approach improves research efficiency, shortens development timelines and helps in designing safer and more effective treatments.

Drug Discovery Informatics Market Overview

The global drug discovery informatics market size was valued at USD 3,321.3 million in 2024 and is projected to grow from USD 3,642.9 million in 2025 to USD 7,650.0 million by 2032, exhibiting a CAGR of 11.18% during the forecast period. 

The growth is attributed to the growing adoption of artificial intelligence and machine learning which are transforming how researchers identify, model and validate potential drug candidates. These technologies are enabling predictive analytics, automating complex data analysis tasks and significantly reducing time and cost in early-stage drug development. 

The market is further driven by the demand for cost-effective and accelerated drug development as pharmaceutical companies aim to enhance efficiency amid growing R&D expenses in drug discovery.

Key Market Highlights:

  1. The drug discovery informatics industry size was valued at USD 3,321.3 million in 2024.
  2. The market is projected to grow at a CAGR of 11.18% from 2025 to 2032.
  3. North America held a market share of 42.02% in 2024, with a valuation of USD 1,395.6 million.
  4. The software segment garnered USD 2,109.0 million in revenue in 2024.
  5. The cloud-based segment is expected to reach USD 4179.6 million by 2032.
  6. The hit generation & screening is anticipated to witness the fastest CAGR of 14.52% over the forecast period
  7. The molecular modeling & simulation segment garnered USD 873.5 million in revenue in 2024
  8. The pharmaceutical companies held a market share of 39.40% in 2024
  9. Europe is anticipated to grow at a CAGR of 11.39% during the forecast period.

Major companies operating in the drug discovery informatics market are Relay Therapeutics, Atomwise Inc., Genedata AG, Insilico Medicine, Recursion, Schrödinger, Inc., Aragen Life Sciences Ltd, Benchling, Collaborative Drug Discovery Inc., Evotec SE, Exscientia plc, Molecular Discovery Ltd, PerkinElmer, Thermo Fisher Scientific Inc., OpenEye and Cadence Molecular Sciences.

Drug Discovery Informatics Market Size & Share, By Revenue, 2025-2032

Additionally, government funding in biomedical research is significantly accelerating the growth of drug discovery informatics by enabling broader access to advanced computational tools and infrastructure. 

This financial support is encouraging research institutions and laboratories to adopt cutting-edge data analytics and modeling platforms, which are essential for modern drug development.

  • In FY 2025, the National Institute of Biomedical Imaging and Bioengineering (NIBIB) has allocated USD 440.6 million in funding, with over 80% directed toward extramural research. A significant portion of this is invested in biomedical informatics initiatives, which are accelerating innovations in data-driven drug discovery.

Market Driver

Rising R&D investments in Drug

Increasing R&D investments by pharmaceutical and biotechnology companies  are driving the widespread adoption of drug discovery informatics. These investments aim to accelerate drug development timelines and enhance clinical success ratesin identifying viable drug candidates and reducing attrition during clinical trials. 

The companies are continuously using advanced tools to analyze complex biological data, validate targets and streamline early-stage research. By enabling faster and more informed decision-making drug discovery informatics is emerging as a driving force of innovation and efficiency in modern drug development strategies.

  • In 2023, the U.S. Food and Drug Administration (FDA) approved 55 novel drugs, highlighting sustained research and development activity that continues to drive the adoption of drug discovery informatics solutions.

Market Challenge

Integration with Legacy Systems

Integration with legacy systems presents a significant challenge in the drug discovery informatics market, many pharmaceutical companies still rely on outdated infrastructure that lacks compatibility with modern informatics tools. This leads to inefficiencies, data silos, and delays in research workflows. 

Retrofitting new platforms into existing systems demands substantial customization, which increases implementation time and costs. Additionally, the lack of standardized data formats further complicates seamless integration and hinders the potential benefits of digital transformation in drug discovery

To address this challenge, companies are increasingly investing in modular and interoperable informatics platforms that support integration with existing legacy systems. They are collaborating with IT service providers to develop customized APIs and middleware that bridge compatibility gaps without disrupting ongoing operations. 

Additionally, many firms are adopting phased digital transformation strategies, allowing gradual migration of data and functions. This approach minimizes risk while enabling smoother transitions and ensures that legacy data remains accessible and useful within modern research environments.

Market Trend

Increasing Adoption of Cloud-Based Platforms

The market is shifting towards the adoption of cloud-based platforms which enable seamless data integration, improved collaboration, and real-time accessibility across research teams. These platforms support scalable infrastructure that simplifies complex workflows and accelerates the drug development lifecycle. 

With enhanced data security, centralized storage and remote access capabilities the cloud-based informatics systems are reducing operational bottlenecks. This shift is allowing organizations to innovate faster, manage resources efficiently and make informed decisions through improved data sharing and analysis.

  • In April 2025, Revvity Signals Software introduced Signals One, a unified data platform designed to accelerate the entire drug discovery lifecycle. The platform integrates data processing workflows from in vitro curve fitting to in vivo analytics into a single environment, ensuring assay data is standardized and AI-ready. This launch represents a significant step toward delivering holistic, cloud-enabled informatics solutions that support multidisciplinary collaboration and speed drug development timelines.

Drug Discovery Informatics Market Report Snapshot

Segmentation

Details

By Solution Type

Software, Services

By Mode of Deployment

On-premise, Cloud-based

By Function/Workflow Stage

Target Identification & Validation, Hit Generation & Screening, Lead Identification & Optimization, Preclinical Testing & Toxicity, Clinical Trial Data Analysis

By Technology

AI & Machine Learning, Molecular Modeling & Simulation, Bioinformatics & Genomics Tools, Data Mining & Visualization, Cheminformatics Platforms

By End User Industry

Pharmaceutical Companies, Biotechnology Companies, Contract Research Organizations (CROs), Academic & Research Institutes,

By Region

North America: U.S., Canada, Mexico

Europe: France, UK, Spain, Germany, Italy, Russia, Rest of Europe

Asia-Pacific: China, Japan, India, Australia, ASEAN, South Korea, Rest of Asia-Pacific

Middle East & Africa: Turkey, U.A.E., Saudi Arabia, South Africa, Rest of Middle East & Africa

South America: Brazil, Argentina, Rest of South America

Market Segmentation

  • By Solution Type (Software and Services): The software segment earned USD 2,109.0 million in 2024 due to its critical role in managing complex biological datasets, automating workflows, and accelerating early-stage drug discovery processes.
  • By Mode of Deployment (On-premise and Cloud-based): The cloud-based segment held 51.09% of the market in 2024, due to increasing demand for scalable, flexible, and collaborative platforms that support remote access and real-time data sharing.
  • By Function/Workflow Stage (Target Identification & Validation, Hit Generation & Screening, Lead Identification & Optimization, and Preclinical Testing & Toxicity): The hit generation & screening segment is projected to reach USD 2,053.5 million by 2032, propelled by advancements in high-throughput screening technologies and the integration of AI for faster compound identification.
  • By Technology (AI & Machine Learning, Molecular Modeling & Simulation, Bioinformatics & Genomics Tools, Data Mining & Visualization, and Cheminformatics Platforms): The molecular modeling & simulation segment earned USD 873.5 million in 2024 owing to its widespread adoption for virtual screening, molecular docking, and predicting drug-target interactions with high accuracy.
  • By End User Industry (Pharmaceutical Companies, Biotechnology Companies, Contract Research Organizations (CROs) and Academic & Research Institutes): The contract research organizations segment is anticipated to witness the fastest CAGR of 12.49% over the forecast period due to rising outsourcing trends and CROs' growing adoption of informatics platforms to enhance operational efficiency and reduce drug development timelines.

Drug Discovery Informatics Market Regional Analysis

Based on region, the global market has been classified into North America, Europe, Asia Pacific, Middle East & Africa, and South America.

Drug Discovery Informatics Market Size & Share, By Region, 2025-2032

North America drug discovery informatics market accounted for a market share of around 42.02% in 2024, with a valuation of USD 1,395.6 million. The dominance is attributed to the region’s well-established ecosystem of pharmaceutical and biotechnology companies that are actively adopting data-driven research tools. 

The market is further strengthened by consistent advancements in analytical platforms and the growing integration of proteomics and genomics in early-stage drug development. The collaborations between commercial and academic research institutions in the region continue to accelerate innovation. 

Additionally, the region benefits from a well-established infrastructure supporting large-scale informatics platforms. These factors collectively reinforce the leadership of North America in the market.

  • In July 2024, Thermo Fisher Scientific acquired Olink, a leading provider of next-generation proteomics solutions, for approximately USD 3.1 billion. The acquisition enhances Thermo Fisher’s Life Sciences Solutions segment by integrating Olink’s advanced proteomics capabilities with its existing informatics and mass spectrometry platforms. This strategic move expands the company’s role in supporting precision medicine and strengthens its position in the market by enabling deeper biological insights through multi-omics integration.

Europe is set to grow at a CAGR of 11.39% over the forecast period. This growth is fueled by a rising focus on integrating advanced computational tools and AI-driven platforms into research workflows. 

Moreover, the market is benefiting from strategic collaborations between AI-focused tech firms and biopharma players aimed at advancing precision chemistry, automated synthesis, and data-driven discovery. Additionally, rising public and private investments in translational research infrastructure and digital innovation are further contributing to the market growth in the region.

  • In August 2024, Recursion entered into a definitive agreement with Exscientia to form a global, technology-enabled drug discovery leader with end-to-end capabilities. The partnership combines Recursion’s scaled biology and translational informatics with Exscientia’s precision chemistry and automated small molecule synthesis, to accelerate drug development. The combined entity is expected to enhance efficiency, deliver better treatments faster, and leverage a strong pipeline and pharma collaborations.

Regulatory Frameworks

  • In the U.S., the Food and Drug Administration (FDA) oversees the regulatory framework for drug discovery, ensuring data integrity, software validation, and compliance in digital tools used during preclinical and clinical stages.
  • In India, the Central Drugs Standard Control Organization (CDSCO) regulates drug discovery practices, including the validation of informatics platforms used in clinical research.
  • In China, the National Medical Products Administration (NMPA) supervises drug discovery and ensures that informatics tools used in clinical trials meet regulatory and safety requirements.
  • In the UK, the Medicines and Healthcare Products Regulatory Agency (MHRA) governs the use of digital technologies in drug development, focusing on software validation and trial data reliability.

Competitive Landscape

Major players in the drug discovery informatics market are increasingly expanding their capabilities through strategic acquisitions to enhance end-to-end support across the biopharma lifecycle. 

They are integrating technical operations, compliance services, and engineering expertise into their informatics platforms to streamline complex workflows. Players are focusing on delivering digitalsolutions specifically designed to support advanced therapies, including biologics and cell and gene treatments. 

Additionally, the players are focusing on accelerating development timelines and meeting the evolving needs of modern drug manufacturing.

  • In March 2025, PerkinElmer acquired Project Farma, a life sciences consultancy specializing in technical operations and GMP facility support. The acquisition strengthens PerkinElmer’s OneSource lab solutions business by integrating Project Farma’s expertise in project management, quality compliance, and engineering consulting. This move enhances PerkinElmer’s ability to support drug developers with more comprehensive informatics and operational services across the biopharma value chain.

Key Companies in Drug Discovery Informatics Market:

  • Relay Therapeutics
  • Atomwise Inc
  • Genedata AG
  • Insilico Medicine
  • Recursion
  • Schrödinger, Inc.
  • Aragen Life Sciences Ltd
  • Benchling
  • Collaborative Drug Discovery Inc.
  • Evotec SE
  • Exscientia plc
  • Molecular Discovery Ltd
  • PerkinElmer
  • Thermo Fisher Scientific Inc.
  • OpenEye, Cadence Molecular Sciences.

Recent Developments (Partnerships/Product Launch)

  • In December 2024, Relay Therapeutics entered into a global licensing agreement with Elevar Therapeutics for the development and commercialization of lirafugratinib, a selective FGFR2 inhibitor. Relay Therapeutics is leveraging its informatics-driven platform to accelerate the drug discovery process by combining leading-edge computational and experimental technologies.
  • In October 2024, Schrödinger entered into a multi-target research collaboration and expanded software licensing agreement with Novartis to advance multiple drug discovery programs. The partnership significantly scales the use of Schrödinger’s computational modeling and enterprise informatics platform across Novartis’s global research network.
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