Global Computational Predictive Toxicology Modeling Service Market 2025 by Company, Regions, Type and Application, Forecast to 2031

According to our (Global Info Research) latest study, the global Computational Predictive Toxicology Modeling Service market size was valued at US$ 206 million in 2024 and is forecast to a readjusted size of USD 285 million by 2031 with a CAGR of 4.8% during review period.

Computational Predictive Toxicology Modeling based on (Quantitative) Structure-Activity Relationships [(Q)SAR] and metabolic modeling have emerged as fundamental tools in the preliminary safety screening of novel molecules, such as plant extracts, fermentation products, or fungal secondary metabolites that are intended for use in food.

Computational Predictive Toxicology Modeling Service is a professional service that provides the use of computer models and computational methods to predict the toxic effects of chemical substances. Combining chemistry, biology, computer science, and data analysis, this service aims to assess the toxic potential of chemicals to living organisms to support decision-making in areas such as drug discovery, chemical safety assessment, and environmental protection. Collect multiple data sources on chemical substance properties, molecular structure, biological activity, and toxicity test data. Features of chemical substances are extracted from the collected data, which may include molecular descriptors, physicochemical properties, metabolic pathways, etc. Using methods such as machine learning, statistics, and computational chemistry, build predictive models that correlate characteristics of chemical substances with their toxic effects. Validate the model, evaluate its predictive performance using an independent test dataset, and refine the model to improve accuracy. Use the optimized model to predict the toxicity of new chemical substances and explain the prediction results. Based on model predictions, assess the toxicity potential of chemicals and generate reports that provide decision makers with information on potential toxicity. Computational predictive toxicology modeling services can help speed up the toxicity assessment process, reduce the need for animal experiments, and reduce cost and time investment. It has broad application prospects in drug research and development, new chemical development, food additive safety assessment and other fields.

This report is a detailed and comprehensive analysis for global Computational Predictive Toxicology Modeling Service market. Both quantitative and qualitative analyses are presented by company, by region & country, by Type and by Application. As the market is constantly changing, this report explores the competition, supply and demand trends, as well as key factors that contribute to its changing demands across many markets. Company profiles and product examples of selected competitors, along with market share estimates of some of the selected leaders for the year 2025, are provided.

Key Features:

Global Computational Predictive Toxicology Modeling Service market size and forecasts, in consumption value ($ Million), 2020-2031

Global Computational Predictive Toxicology Modeling Service market size and forecasts by region and country, in consumption value ($ Million), 2020-2031

Global Computational Predictive Toxicology Modeling Service market size and forecasts, by Type and by Application, in consumption value ($ Million), 2020-2031

Global Computational Predictive Toxicology Modeling Service market shares of main players, in revenue ($ Million), 2020-2025

The Primary Objectives in This Report Are:

To determine the size of the total market opportunity of global and key countries

To assess the growth potential for Computational Predictive Toxicology Modeling Service

To forecast future growth in each product and end-use market

To assess competitive factors affecting the marketplace

This report profiles key players in the global Computational Predictive Toxicology Modeling Service market based on the following parameters - company overview, revenue, gross margin, product portfolio, geographical presence, and key developments. Key companies covered as a part of this study include Intertek Group, Harmonic Pharma, Instem (Leadscope), Inotiv, Simulations Plus Inc, Lhasa Limited, MultiCASE, Schrodinger, Aclaris, Evogene, etc.

This report also provides key insights about market drivers, restraints, opportunities, new product launches or approvals.

Market segmentation

Computational Predictive Toxicology Modeling Service market is split by Type and by Application. For the period 2020-2031, the growth among segments provides accurate calculations and forecasts for Consumption Value by Type and by Application. This analysis can help you expand your business by targeting qualified niche markets.

Market segment by Type
On-Premise
Cloud-Based

Market segment by Application
Academia
Enterprise

Market segment by players, this report covers
Intertek Group
Harmonic Pharma
Instem (Leadscope)
Inotiv
Simulations Plus Inc
Lhasa Limited
MultiCASE
Schrodinger
Aclaris
Evogene
Deciphex (Patholytix)
Exscientia

Market segment by regions, regional analysis covers

North America (United States, Canada and Mexico)

Europe (Germany, France, UK, Russia, Italy and Rest of Europe)

Asia-Pacific (China, Japan, South Korea, India, Southeast Asia and Rest of Asia-Pacific)

South America (Brazil, Rest of South America)

Middle East & Africa (Turkey, Saudi Arabia, UAE, Rest of Middle East & Africa)

The content of the study subjects, includes a total of 13 chapters:

Chapter 1, to describe Computational Predictive Toxicology Modeling Service product scope, market overview, market estimation caveats and base year.

Chapter 2, to profile the top players of Computational Predictive Toxicology Modeling Service, with revenue, gross margin, and global market share of Computational Predictive Toxicology Modeling Service from 2020 to 2025.

Chapter 3, the Computational Predictive Toxicology Modeling Service competitive situation, revenue, and global market share of top players are analyzed emphatically by landscape contrast.

Chapter 4 and 5, to segment the market size by Type and by Application, with consumption value and growth rate by Type, by Application, from 2020 to 2031

Chapter 6, 7, 8, 9, and 10, to break the market size data at the country level, with revenue and market share for key countries in the world, from 2020 to 2025.and Computational Predictive Toxicology Modeling Service market forecast, by regions, by Type and by Application, with consumption value, from 2026 to 2031.

Chapter 11, market dynamics, drivers, restraints, trends, Porters Five Forces analysis.

Chapter 12, the key raw materials and key suppliers, and industry chain of Computational Predictive Toxicology Modeling Service.

Chapter 13, to describe Computational Predictive Toxicology Modeling Service research findings and conclusion.