Research Expert: Sarah Overall
  • Published: Aug 2025
  • Pages: 150
  • SKU: IRTNTR80834

  • Latest News- AI In Predictive Toxicology Market: Solutions is expected to lead the Component segment during 2025-2029

    The AI In Predictive Toxicology Market is being driven by Economic and operational imperative to mitigate late stage attrition and expedite drug development cycles

    The AI In Predictive Toxicology Market is expected to grow at a CAGR of 37.4% during 2024 and 2029. During this period, the market is also expected to show a growth of USD 647.7 million. The global AI in predictive toxicology market is experiencing a significant shift as generative artificial intelligence (AI) and advanced machine learning architectures, including large language models and graph neural networks, are increasingly integrated. This evolution goes beyond traditional quantitative structure-activity relationship (QSAR) models, moving towards more dynamic, multifaceted predictive systems. Generative AI, specifically generative adversarial networks (GANs) and transformers, enable the creation of new chemical compounds with predefined low-toxicity profiles. This capability fundamentally transforms the drug discovery and chemical development pipeline from a reactive screening process to a proactive design process. Instead of testing thousands of existing compounds for toxicity, organizations can now generate a smaller, more promising set of candidates that have undergone computational pre-validation for safety. 

    Get more information on AI In Predictive Toxicology Market by requesting a sample report

    Which Factors Are Causing a Surge in Market Growth?

    The market is segmented based on

    • Component
      • Solutions
      • Services
    • Technology
      • Machine learning
      • Natural language processing
      • Others
    • End-user
      • Pharma and biotech companies
      • Chemical and cosmetic manufacturing
      • Contract research organization
      • Research and academic institutes
    • Geography
      • North America
        • Canada
        • US
      • Europe
        • Germany
        • UK
        • France
      • APAC
        • China
        • India
        • Japan
      • South America
        • Brazil
      • Middle East and Africa

      According to Technavio, There are several factors that are causing the market to flourish during the forecast period, which are as follows: 

      • Economic and operational imperative to mitigate late stage attrition and expedite drug development cycles
      • Intensifying regulatory and societal pressure to adopt non animal testing methodologies
      • Foundational advancements in computational power, AI architectures, and data availability

      However, the market also witnesses some limitations, which are as follows:

      • Pervasive data scarcity, heterogeneity, and a lack of standardization
      • Black box dilemma: model interpretability, validation, and regulatory acceptance
      • Prohibitive computational costs and a critical specialized talent gap

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      Market Scope in AI In Predictive Toxicology Market Research Report

      Market Scope

      Report Coverage

      Details

      Page number

      234

      Base year

      2024

      Historic period

      2019-2023

      Forecast period

      2025-2029

      Growth momentum & CAGR

      Accelerate at a CAGR of 37.4%

      Market growth 2025-2029

      USD 647.7 million

      Market structure

      fragmentation

      YoY growth 2024-2025(%)

      34.8

      Key countries

      US, UK, Germany, China, Canada, Japan, India, France, Australia, and Brazil

      Competitive landscape

      Leading Companies, Market Positioning of Companies, Competitive Strategies, and Industry Risks

      Find out which segment is leading the market by accessing the free PDF report

      Research Analysis Overview

      In the realm of predictive toxicology, advanced AI technologies are revolutionizing the field with solutions like toxicity pathway prediction, AI-powered risk assessment, and chemical safety prediction. Virtual toxicology testing, a part of next-generation toxicology, employs in silico ADME-tox, pharmacokinetic modeling, toxicological data mining, and biological target identification for compound prioritization. AI applications also extend to drug metabolism prediction, pharmacodynamics modeling, target engagement prediction, toxicological database integration, mechanism of action, toxicity profiling, and admet prediction. Furthermore, AI assists in drug-drug interaction prediction, chemical design optimization, data integration techniques, model validation techniques, and statistical modeling techniques for regulatory submission support and safety data analysis.

      Market Research Overview

      The predictive toxicology market encompasses innovative IT solutions leveraging in silico toxicology, QSAR modeling, machine learning, and deep learning models. These advanced technologies enable the prediction of potential toxicological risks, streamlining regulatory compliance, and reducing animal testing. Technavio's market analysis covers businesses specializing in these solutions, contributing to the global application software market. This segment focuses on developing software for niche applications, including predictive toxicology, and excludes companies producing database management software or interactive home entertainment software. The market size is determined by the consolidated revenue generated by these companies.. Industries are leveraging the products belonging to the market for customer engagement, transactional notifications, and promotional offers.


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      Technavio Research
      Jesse Maida
      Media & Marketing Executive
      US: +1 844 364 1100
      UK: +44 203 893 3200
      Email: media@technavio.com
      Website: www.technavio.com/

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