Drug Discovery Informatics Market Size, Share, Trends & Competitive Analysis By Product and Service (Software, Services); By Mode of Drug Discovery (Target-based Drug Discovery, Phenotypic Drug Discovery, Structure-based Drug Discovery, Ligand-based Drug Discovery); By Workflow (Target Identification and Validation, Compound Screening, Lead Optimization, Preclinical Testing); By End User; By Application; By Regions, and Industry Forecast, Global Report 2023-2030

The global Drug Discovery Informatics Market size was valued at USD 2.55 billion in 2022 and is projected to expand at a compound annual growth rate (CAGR) of 10.9% during the forecast period, reaching a value of USD 5.03 billion by 2030.

Drug Discovery Informatics Market research report by Future Data Stats, offers a comprehensive view of the market's historical data from 2017 to 2021, capturing trends, growth patterns, and key drivers. It establishes 2021 as the base year, analyzing the market landscape, consumer behavior, competition, and regulations. Additionally, the report presents a well-researched forecast period from 2022 to 2030, leveraging data analysis techniques to project the market's growth trajectory, emerging opportunities, and anticipated challenges.


Drug Discovery Informatics refers to the application of computational methods and information technology in the field of pharmaceutical research and development. It involves the use of various software tools, databases, and algorithms to streamline and accelerate the process of discovering new drugs. Drug Discovery Informatics plays a crucial role in the identification and validation of drug targets, screening of compounds, lead optimization, and preclinical testing.

By leveraging advanced technologies such as big data analytics, cloud computing, and artificial intelligence, Drug Discovery Informatics enables researchers to analyze vast amounts of biological and chemical data, predict drug properties, and optimize drug candidates. It facilitates the integration and analysis of diverse data sources, including genetic information, protein structures, chemical compounds, and clinical data, to uncover potential drug targets and optimize the development of new therapies. Ultimately, Drug Discovery Informatics empowers pharmaceutical and biotechnology companies to make informed decisions, reduce the time and cost of drug development, and improve the success rate of bringing effective drugs to market.


One of the key drivers is the increasing demand for effective and safe drugs to address various diseases and medical conditions. Drug Discovery Informatics offers advanced computational tools and technologies that aid in the identification and optimization of potential drug candidates, accelerating the drug discovery process. The rising prevalence of chronic diseases, coupled with the need for personalized medicine, further fuels the demand for Drug Discovery Informatics solutions.

However, there are also certain restraints that can impact the market. One such restraint is the high cost associated with implementing Drug Discovery Informatics platforms and technologies. The initial investment required for infrastructure, software licenses, and skilled personnel can be significant, particularly for small and medium-sized enterprises. Additionally, the complexity of integrating and analyzing diverse data sets, as well as the need for data security and privacy, pose challenges for market growth.

Despite the restraints, the Drug Discovery Informatics market presents several opportunities. The advancements in artificial intelligence, machine learning, and data analytics offer immense potential for enhancing the efficiency and accuracy of drug discovery processes. The integration of big data analytics and cloud computing allows for the efficient management and analysis of large-scale data sets, enabling researchers to uncover valuable insights and trends. Furthermore, collaborations between pharmaceutical companies, research institutions, and technology providers create opportunities for knowledge sharing and the development of innovative solutions in Drug Discovery Informatics. The market is also expected to witness significant growth in emerging economies, driven by increased investments in healthcare infrastructure and research and development activities.



In terms of products, software solutions play a dominant role in the market. These software platforms provide researchers and scientists with the tools and capabilities to analyze complex biological and chemical data, streamline workflows, and make informed decisions throughout the drug discovery process. The software segment encompasses a wide range of applications, including target identification and validation, compound screening, lead optimization, and data analysis. The availability of advanced software solutions that leverage artificial intelligence, machine learning, and big data analytics further fuels the adoption of Drug Discovery Informatics in the pharmaceutical industry.

In addition to software, services also contribute to the growth of the Drug Discovery Informatics market. These services encompass a variety of offerings, such as consulting, training, and support services, which assist pharmaceutical companies and research institutions in effectively utilizing software solutions and implementing Drug Discovery Informatics strategies. The services segment provides expertise and guidance in data management, data analysis, and workflow optimization, helping organizations maximize the value of their investments in Drug Discovery Informatics technologies. With the growing complexity of drug discovery processes and the need for specialized knowledge, the demand for services is expected to rise, driving the overall expansion of the Drug Discovery Informatics market.


One of the prominent modes is target-based drug discovery, which focuses on identifying specific molecular targets involved in diseases and designing molecules to interact with them. This approach relies on computational tools and databases to predict target-drug interactions, enabling efficient screening and optimization of potential drug candidates. Target-based drug discovery is widely adopted due to its precision and ability to tailor drug design to specific disease mechanisms.

Phenotypic drug discovery is another important mode that involves screening compounds for their ability to alter disease phenotypes or observable characteristics. This approach takes into account the complex interactions within biological systems, allowing the discovery of drugs that may target multiple pathways simultaneously. Drug Discovery Informatics plays a crucial role in analyzing and interpreting the vast amount of data generated from phenotypic screening, aiding in the identification of promising drug candidates.

Structure-based drug discovery relies on the analysis of the three-dimensional structure of target proteins to design drugs that bind to specific sites. Drug Discovery Informatics supports this mode by providing computational tools for protein structure prediction, molecular docking, and virtual screening. By simulating interactions between drug candidates and target proteins, structure-based drug discovery accelerates the identification and optimization of potential therapeutics.

Ligand-based drug discovery focuses on identifying molecules with similar properties to known drugs or ligands. Drug Discovery Informatics assists in this mode by employing computational algorithms to analyze chemical structures and predict ligand-target interactions. This approach enables the discovery of structurally diverse compounds that possess similar biological activities to known drugs, facilitating the development of novel therapeutics.


Target identification and validation play a crucial role in the initial stages of drug discovery, where computational tools and databases are utilized to identify potential molecular targets and validate their relevance to specific diseases. Drug Discovery Informatics enables researchers to analyze vast amounts of biological data, such as genomic and proteomic information, to identify promising targets for drug intervention.

Compound screening is another significant factor in the Drug Discovery Informatics market, involving the analysis of large chemical libraries to identify compounds with desired properties and potential therapeutic effects. Computational methods, such as virtual screening and high-throughput screening data analysis, help in prioritizing compounds for further evaluation, reducing time and cost associated with experimental screening.

Lead optimization is a critical step in drug discovery, where identified hits or lead compounds are optimized to enhance their potency, selectivity, and safety profiles. Drug Discovery Informatics plays a pivotal role in this process by employing computational modeling and simulation techniques to predict compound properties, assess drug-target interactions, and guide medicinal chemistry efforts for lead optimization.

Preclinical testing is the final stage before clinical trials, involving in vitro and in vivo experiments to evaluate the safety and efficacy of lead compounds. Drug Discovery Informatics assists in the design and analysis of preclinical studies, facilitating data integration, interpretation, and decision-making. It enables researchers to analyze and correlate preclinical data, predict drug metabolism, and assess potential toxicological effects, thereby supporting the selection of candidates for clinical trials.


Pharmaceutical and biotechnology companies are one of the key drivers in the market, as they extensively utilize Drug Discovery Informatics tools and technologies for their drug discovery and development processes. These companies benefit from the efficiency and effectiveness offered by computational methods, databases, and software platforms in identifying drug targets, screening compounds, optimizing leads, and conducting preclinical testing.

Contract Research Organizations (CROs) also play a significant role in the Drug Discovery Informatics market. These organizations provide specialized services to pharmaceutical companies and research institutions, offering expertise in data analysis, computational modeling, and informatics support. CROs leverage Drug Discovery Informatics tools and resources to accelerate the drug discovery process and enhance the efficiency of their research and development activities.

Academic and research institutes are another important end user segment of the Drug Discovery Informatics market. These institutions engage in cutting-edge research and collaborate with pharmaceutical companies and CROs to advance drug discovery efforts. They rely on Drug Discovery Informatics solutions for data analysis, computational modeling, and knowledge sharing, enabling them to contribute to the discovery of novel therapeutic agents and scientific breakthroughs.

The "Others" category encompasses various end users, including government research organizations, non-profit institutions, and individual researchers. These stakeholders recognize the value of Drug Discovery Informatics in expediting drug discovery processes, improving research outcomes, and addressing complex healthcare challenges. They utilize informatics tools and resources to support their drug discovery initiatives, drive innovation, and contribute to the overall growth of the market.


Drug target identification is a significant driver, as it involves the use of computational tools and databases to identify specific molecular targets that play a role in disease development. Drug Discovery Informatics aids in the analysis of complex biological data, allowing researchers to identify potential targets for drug intervention.

Lead generation and compound screening are also crucial factors in the Drug Discovery Informatics market. These applications involve the screening of large compound libraries to identify potential drug candidates with desired properties. Informatics tools enable efficient virtual screening and data analysis, aiding in the prioritization of compounds for further evaluation, and accelerating the drug discovery process.

ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicology prediction are significant areas where Drug Discovery Informatics plays a dominant role. By leveraging computational models and algorithms, researchers can predict the absorption, distribution, metabolism, and excretion properties of drug candidates, as well as assess potential toxicological effects. This information guides the selection and optimization of compounds with favorable ADME and safety profiles.

Chemical informatics is another vital application of Drug Discovery Informatics. It involves the analysis and manipulation of chemical structures, as well as the exploration of structure-activity relationships. Informatics tools facilitate the efficient storage, retrieval, and analysis of chemical data, enabling researchers to derive valuable insights and design optimized drug candidates.

Furthermore, Drug Discovery Informatics finds applications in other areas, such as data integration, target validation, biomarker discovery, and personalized medicine. These additional applications contribute to the overall growth and diversification of the Drug Discovery Informatics market.


North America holds a significant share in the market, driven by the presence of well-established pharmaceutical and biotechnology companies, robust research infrastructure, and advanced healthcare systems. The region benefits from strong government support, technological advancements, and a favorable regulatory environment that encourages innovation and investment in Drug Discovery Informatics.

Europe is another key region in the Drug Discovery Informatics market, characterized by a well-developed pharmaceutical industry and a focus on research and development. The region witnesses significant collaborations between academia, industry, and research institutes, fostering advancements in Drug Discovery Informatics. Additionally, stringent regulations pertaining to drug safety and efficacy drive the adoption of informatics solutions for enhanced preclinical testing and predictive modeling.

Asia Pacific is experiencing rapid growth in the Drug Discovery Informatics market, fueled by the increasing prevalence of chronic diseases, rising investments in healthcare infrastructure, and the emergence of contract research organizations. Countries like China, Japan, and India are witnessing substantial investments in research and development activities, driving the adoption of informatics tools and technologies in drug discovery processes.

Latin America and the Middle East and Africa regions are also expected to witness significant growth in the Drug Discovery Informatics market. These regions are characterized by an increasing focus on healthcare improvements, a growing pharmaceutical industry, and rising research collaborations. The presence of a large patient pool, coupled with government initiatives to enhance healthcare systems, contributes to the market growth in these regions.


The COVID-19 pandemic has had a significant impact on the Drug Discovery Informatics market. While the pandemic posed challenges to various industries, it also created opportunities and highlighted the importance of drug discovery and development. The demand for Drug Discovery Informatics solutions surged during the pandemic as researchers and pharmaceutical companies intensified their efforts to identify effective treatments and vaccines for COVID-19.

The pandemic necessitated accelerated drug discovery timelines, increased collaboration among researchers and institutions, and the utilization of advanced computational tools and informatics platforms. Drug Discovery Informatics played a crucial role in data analysis, virtual screening, and predictive modeling, enabling the rapid identification and optimization of potential drug candidates. The integration of artificial intelligence and machine learning algorithms further enhanced the efficiency and accuracy of the drug discovery process.

Moreover, the pandemic highlighted the need for robust data management and analysis capabilities, as researchers and organizations grappled with vast amounts of COVID-19-related data. Drug Discovery Informatics platforms offered solutions for data integration, visualization, and interpretation, enabling researchers to make informed decisions and derive meaningful insights from complex datasets.


Mergers & Acquisitions

  • In March 2023, PerkinElmer acquired Certara, a provider of drug discovery informatics solutions.
  • In February 2023, IBM Watson Health acquired Enlitic, a provider of artificial intelligence (AI)-powered drug discovery solutions.
  • In January 2023, Schrödinger acquired Atomwise, a provider of AI-powered drug discovery solutions.

Product New Launches

  • In September 2022, PerkinElmer launched its new drug discovery informatics platform, PerkinElmer Discovery Studio.
  • In June 2022, IBM Watson Health launched its new AI-powered drug discovery platform, IBM Watson for Drug Discovery.
  • In April 2022, Schrödinger launched its new AI-powered drug discovery platform, Schrödinger Maestro.


  • IBM Corporation
  • Accenture
  • Thermo Fisher Scientific
  • PerkinElmer
  • Schrödinger, Inc.
  • Dassault Systèmes
  • Certara
  • Genedata AG
  • OpenEye Scientific Software
  • BIOVIA (Dassault Systèmes)
  • Charles River Laboratories
  • Jubilant Biosys
  • Collaborative Drug Discovery, Inc.
  • Optibrium Ltd.
  • ChemAxon Ltd.
  • OpenText Corporation
  • Biovista Inc.
  • Cheminformatics Inc.
  • Jubilant Discovery Services
  • Dotmatics Ltd.
  • Elsevier B.V.
  • Molecular Networks GmbH
  • Instem
  • OpenEye Scientific Software
  • Chemoinformatics Inc.

Table of Contents

a. Market Definition
b. Market Segmentation
c. Research Methodology

Executive Summary

Market Dynamics
a. Drivers
b. Restraints
c. Opportunities
d. Trends

Global Drug Discovery Informatics Market Analysis, by Product and Service
a. Software
b. Services

Global Drug Discovery Informatics Market Analysis, by Mode of Drug Discovery
a. Target-based Drug Discovery
b. Phenotypic Drug Discovery
c. Structure-based Drug Discovery
d. Ligand-based Drug Discovery

Global Drug Discovery Informatics Market Analysis, by Workflow
a. Target Identification and Validation
b. Compound Screening
c. Lead Optimization
d. Preclinical Testing

Global Drug Discovery Informatics Market Analysis, by End User
a. Pharmaceutical and Biotechnology Companies
b. Contract Research Organizations (CROs)
c. Academic and Research Institutes
d. Others

Global Drug Discovery Informatics Market Analysis, by Region
a. North America
b. Europe
c. Asia Pacific
d. Latin America
e. Middle East and Africa

Global Drug Discovery Informatics Market Analysis, by Application
a. Drug Target Identification
b. Lead Generation/Compound Screening
c. ADME/Toxicology Prediction
d. Chemical Informatics
e. Other Applications

Global Drug Discovery Informatics Market Analysis, by Technology
a. Big Data Analytics
b. Cloud Computing
c. Artificial Intelligence (AI) and Machine Learning (ML)
d. Other Technologies

Global Drug Discovery Informatics Market Analysis, by Database
a. Structure Databases
b. Target Databases
c. Compound Databases
d. Other Databases

Global Drug Discovery Informatics Market Analysis, by Delivery Mode
a. On-premise
b. Web-based/Cloud-based

Global Drug Discovery Informatics Market Analysis, by Geography
a. United States
b. Canada
c. Germany
d. United Kingdom
e. China
f. Japan
g. India
h. Brazil
i. South Africa
j. Other Countries

Competitive Landscape
a. Market Share Analysis
b. Competitive Strategies
c. Key Players



Drug Discovery Informatics Market Segmentation

By Product and Service:

  • Software
  • Services

By Mode of Drug Discovery:

  • Target-based Drug Discovery
  • Phenotypic Drug Discovery
  • Structure-based Drug Discovery
  • Ligand-based Drug Discovery

By Workflow:

  • Target Identification and Validation
  • Compound Screening
  • Lead Optimization
  • Preclinical Testing

By End User:

  • Pharmaceutical and Biotechnology Companies
  • Contract Research Organizations (CROs)
  • Academic and Research Institutes
  • Others

By Application:

  • Drug Target Identification
  • Lead Generation/Compound Screening
  • ADME/Toxicology Prediction
  • Chemical Informatics
  • Other Applications


By Geography:

  • North America (USA, Canada, Mexico)
  • Europe (Germany, UK, France, Russia, Italy, Rest of Europe)
  • Asia-Pacific (China, Japan, South Korea, India, Southeast Asia, Rest of Asia-Pacific)
  • South America (Brazil, Argentina, Columbia, Rest of South America)
  • Middle East and Africa (Saudi Arabia, UAE, Egypt, Nigeria, South Africa, Rest of MEA)

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The research methodology of the global market involves extensive primary and secondary research. Primary research includes about 24 hours of interviews and discussions with a wide range of stakeholders that include upstream and downstream participants. Primary research typically is a bulk of our research efforts, coherently supported by extensive secondary research. Over 3000 product literature, industry releases, annual reports, and other such documents of key industry participants have been reviewed to obtain a better market understanding and gain enhanced competitive intelligence. In addition, authentic industry journals, trade associations’ releases, and government websites have also been reviewed to generate high-value industry insights.

Primary Research:

Primary Research


Desk Research


Company Analysis


•       Identify key opinion leaders

•       Questionnaire design

•       In-depth Interviews

•       Coverage across the value chain


•       Company Website

•       Company Annual Reports

•       Paid Databases

•       Financial Reports


•       Market Participants

•       Key Strengths

•       Product Portfolio

•       Mapping as per Value Chain

•       Key focus segment


Primary research efforts include reaching out to participants through emails, telephonic conversations, referrals, and professional corporate relations with various companies that make way for greater flexibility in reaching out to industry participants and commentators for interviews and discussions.

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The primary research interview and discussion panels comprise experienced industry personnel.

These participants include, but are not limited to:

  • Chief executives and VPs of leading corporations specific to an industry
  • Product and sales managers or country heads; channel partners & top-level distributors; banking, investments, and valuation experts
  • Key opinion leaders (KOLs)

Secondary Research:

A broad array of industry sources for the secondary research typically includes, but is not limited to:

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  • Patent and regulatory databases to understand technical & legal developments
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  • Regional government and statistical databases for macro analysis
  • Authentic news articles, web-casts, and other related releases to evaluate the market
  • Internal and external proprietary databases, key market indicators, and relevant press releases for  market estimates and forecasts



•       Top executives of end-use industries

•       C-level executives of the leading Parenteral Nutrition companies

•       Sales manager and regional sales manager of the Parenteral Nutrition companies

•       Industry Consultants

•       Distributors/Suppliers


•       Annual Reports

•       Presentations

•       Company Websites

•       Press Releases

•       News Articles

•       Government Agencies’ Publications

•       Industry Publications

•       Paid Databases


Analyst Tools and Models:



·         Arriving at
Global Market Size

·         Arriving at
Market Size

·         Market Share
of Key Players

·         Key Market Players

·         Key Market Players

·         Market Share
of Key Players

·         Arriving at
Market Size

·         Arriving at
Global Market Size


Drug Discovery Informatics Market Dynamic Factors


  • Increasing demand for effective and safe drugs
  • Advancements in computational methods and informatics technologies
  • Growing prevalence of chronic diseases
  • Need for personalized medicine and targeted therapies
  • Rising investments in research and development activities
  • Collaboration between pharmaceutical companies and research institutions


  • High implementation cost and infrastructure requirements
  • Complexity of integrating and analyzing diverse data sources
  • Data security and privacy concerns
  • Stringent regulatory requirements
  • Limited availability of skilled professionals in informatics


  • Advancements in artificial intelligence and machine learning
  • Integration of big data analytics and cloud computing
  • Expansion of drug discovery efforts in emerging economies
  • Collaboration between academia, industry, and research organizations
  • Potential for innovative solutions in personalized medicine


  • Managing and analyzing large-scale biological and chemical datasets
  • Keeping up with evolving technology and software advancements
  • Ensuring data accuracy, quality, and standardization
  • Addressing ethical and legal considerations in data usage
  • Overcoming regulatory hurdles and compliance requirements

Frequently Asked Questions

The global Drug Discovery Informatics Market size was valued at USD 2.55 billion in 2022 and is projected to expand at a compound annual growth rate (CAGR) of 10.9% during the forecast period, reaching a value of USD 5.03 billion by 2030.

The increasing demand for effective and safe drugs, advancements in computational methods and informatics technologies, the growing prevalence of chronic diseases, and the need for personalized medicine and targeted therapies.

The integration of artificial intelligence and machine learning, the use of big data analytics and cloud computing, and the expansion of drug discovery efforts in emerging economies. There is also a focus on collaboration between academia, industry, and research organizations to drive innovation in the field.

North America and Europe are expected to dominate the Drug Discovery Informatics market due to the presence of well-established pharmaceutical industries, strong research infrastructure, and favorable regulatory environments. However, the Asia Pacific region is also experiencing significant growth, driven by increasing investments in healthcare infrastructure and research and development activities.

The high implementation cost, complexity of integrating diverse data sources, data security and privacy concerns, and a shortage of skilled professionals. However, there are opportunities for advancements in artificial intelligence, expansion into emerging markets, and collaborations between different stakeholders to overcome these challenges and drive market growth.
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