Artificial Intelligence in Chemical and Materials Science Market Size, Share, Trends & Competitive Analysis By Type (Machine Learning Algorithms, Natural Language Processing Systems, Deep Learning Networks, Expert Systems, Robotics and Automation) By Application; By Industry Vertical; By Technology Integration; By Regions, and Industry Forecast, Global Report 2023-2030

The global Artificial Intelligence in Chemical and Materials Science Market size was valued at USD 6.28 billion in 2022 and is projected to expand at a compound annual growth rate (CAGR) of 22.9% during the forecast period, reaching a value of USD 28.3 billion by 2030.

Artificial Intelligence in Chemical and Materials Science 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.


Artificial Intelligence (AI) in Chemical and Materials Science refers to the integration of advanced computational algorithms and technologies to enhance research, development, and optimization processes in these fields. AI leverages machine learning, deep learning, and expert systems to analyze vast amounts of data, discover patterns, and make informed decisions. In the context of Chemical and Materials Science, AI is utilized for applications such as drug discovery, materials design, process automation, and quality control. By employing AI, scientists and researchers can accelerate their experiments, gain valuable insights, and identify novel solutions, ultimately leading to more efficient and innovative advancements in these industries.


The market for Artificial Intelligence (AI) in Chemical and Materials Science is driven by several key factors. One of the major drivers is the increasing demand for efficient and cost-effective solutions in drug discovery and materials design. AI enables researchers to analyze vast datasets and identify potential drug candidates or optimize material properties, leading to faster and more accurate results. Additionally, the integration of AI in process automation and control offers enhanced productivity and quality assurance, reducing human errors and operational costs. Furthermore, the rising focus on predictive maintenance using AI-driven systems ensures better equipment monitoring and maintenance, minimizing downtime and improving overall operational efficiency.

Despite the promising opportunities, the market also faces certain challenges and restraints. Data privacy and security concerns remain a significant restraint, as handling sensitive information requires robust cybersecurity measures. Moreover, integrating AI technologies with existing systems can be complex and may require additional investments in training and infrastructure. The scarcity of a skilled workforce proficient in both AI and Chemical/Materials Science poses another challenge, hindering seamless adoption and implementation. However, with continuous advancements and research, the AI market in Chemical and Materials Science holds immense potential, offering new avenues for growth and innovation in various industries.



Machine learning allows scientists to analyze extensive datasets, uncover patterns, and make informed decisions, while NLP systems facilitate effective communication and understanding of complex scientific texts. Deep learning networks enable high-level data processing, and expert systems offer valuable domain-specific knowledge. Additionally, the integration of robotics and automation enhances efficiency in laboratory experiments and material synthesis, accelerating the pace of innovation and propelling the AI in Chemical and Materials Science Market forward.


With AI's integration, the sectors of Drug Discovery and Development, Materials Design and Optimization, Process Automation and Control, Predictive Maintenance, and Quality Control and Assurance are witnessing remarkable advancements. AI technologies offer accelerated drug screening and candidate identification in the pharmaceutical industry, as well as efficient materials design and optimization, leading to the discovery of innovative materials with tailored properties. Moreover, process automation and control benefit from AI's ability to enhance productivity and accuracy, while predictive maintenance solutions ensure optimal equipment performance, reducing downtime and operational costs. Additionally, AI-driven quality control and assurance processes assure consistent and high-quality output in chemical and materials production, reinforcing the positive impact of AI in these critical areas.


In the pharmaceutical sector, AI plays a pivotal role in accelerating drug discovery and development, aiding in the identification of potential drug candidates and optimizing drug formulations. Petrochemical companies benefit from AI-driven solutions that enhance process efficiency and safety, enabling them to streamline production and reduce operational risks. Similarly, specialty chemicals industries leverage AI technologies to design and customize novel chemical compounds with specific applications. In materials manufacturing, AI supports the development of advanced materials with enhanced properties, leading to improved products in various sectors. Additionally, AI applications in biotechnology empower researchers to analyze complex biological data, driving advancements in genomics, proteomics, and personalized medicine.


AI-Integrated Laboratory Equipment revolutionizes research processes, allowing scientists to automate experiments, analyze data in real-time, and make data-driven decisions. AI-Driven Simulation Software enhances predictive modeling, simulating complex chemical reactions and material behaviors with higher accuracy and speed. AI-Powered Analytical Instruments enable precise and efficient analysis of samples, providing valuable insights into chemical compositions and material properties. Moreover, AI-Enhanced Process Modeling optimizes manufacturing processes by predicting optimal conditions and ensuring cost-effective production.


In North America, AI adoption is high, with a focus on drug discovery and process automation, driven by the pharmaceutical and materials manufacturing industries. Europe embraces AI-powered materials design and quality control, while also making strides in biotechnology applications. The Asia Pacific region witnesses significant growth, particularly in countries like China, Japan, and India, where AI is applied to optimize materials manufacturing and enhance drug development processes. Latin America and the Middle East and Africa regions are gradually adopting AI technologies in the chemical and materials sectors, with a growing interest in process automation and predictive maintenance.


The COVID-19 pandemic has had a significant impact on the Artificial Intelligence in Chemical and Materials Science Market. Despite initial disruptions caused by lockdowns and supply chain challenges, the pandemic accelerated the adoption of AI technologies in these industries. With research and development efforts focused on finding effective treatments and vaccines, AI played a crucial role in expediting drug discovery processes. Additionally, the need for remote work and contactless operations drove the implementation of AI-driven automation and predictive maintenance solutions, ensuring continuity in manufacturing and quality control. As the world faced unprecedented challenges, the potential of AI to analyze vast amounts of data and identify patterns became even more evident, leading to increased investments and collaborations in AI research within the chemical and materials science sectors.


Mergers & Acquisitions


  • Ansys acquired Phynamics, a provider of AI-powered simulation software for the chemical and materials industry.
  • BASF acquired Beyond Limits, a developer of AI-powered software for industrial automation.


  • Clariant acquired ChemAxon, a provider of AI-powered chemistry software.
  • Evonik acquired Cognito, a developer of AI-powered software for materials discovery.

Product Launches


  • Ansys launched Discovery Live, an AI-powered platform for virtual experimentation in the chemical and materials industry.
  • BASF launched the BASF MindSphere Digital Twin, an AI-powered platform for the digital transformation of chemical plants.


  • Clariant launched the Clariant Virtual Lab, an AI-powered platform for virtual experimentation in the chemical and materials industry.
  • Evonik launched the Evonik Materials Intelligence Platform, an AI-powered platform for materials discovery and development.


  • IBM Corporation
  • Microsoft Corporation
  • Google LLC
  • Dow Chemical Company
  • Siemens AG
  • General Electric Company
  • Honeywell International Inc.
  • Johnson & Johnson
  • Merck & Co., Inc.
  • Pfizer Inc.
  • Novartis International AG
  • Roche Holding AG
  • DuPont de Nemours, Inc.
  • 3M Company
  • Thermo Fisher Scientific Inc.
  • AstraZeneca plc
  • GlaxoSmithKline plc
  • Bayer AG
  • LG Chem Ltd.
  • Mitsubishi Chemical Holdings Corporation
  • Arkema S.A.
  • Evonik Industries AG
  • Celanese Corporation
  • Sumitomo Chemical Co., Ltd.
  • others

Table of Contents

1.1. Overview
1.2. Scope of the Report
1.3. Methodology

Executive Summary

Market Overview
3.1. Market Definition
3.2. Market Drivers
3.3. Market Restraints
3.4. Market Opportunities
3.5. Porter's Five Forces Analysis

AI Technologies in Chemical and Materials Science
4.1. Machine Learning Algorithms
4.2. Natural Language Processing (NLP) Systems
4.3. Deep Learning Networks
4.4. Expert Systems
4.5. Robotics and Automation

Market Segmentation by Application
5.1. Drug Discovery and Development
5.2. Materials Design and Optimization
5.3. Process Automation and Control
5.4. Predictive Maintenance
5.5. Quality Control and Assurance

Market Segmentation by Industry Vertical
6.1. Pharmaceuticals
6.2. Petrochemicals
6.3. Specialty Chemicals
6.4. Materials Manufacturing
6.5. Biotechnology

AI Integration in Chemical and Materials Science
7.1. AI-Integrated Laboratory Equipment
7.2. AI-Driven Simulation Software
7.3. AI-Powered Analytical Instruments
7.4. AI-Enhanced Process Modeling

Geographical Analysis
8.1. North America
8.2. Europe
8.3. Asia Pacific
8.4. Latin America
8.5. Middle East and Africa

Key Players in the Market
9.1. Company A
9.2. Company B
9.3. Company C
9.4. Company D
9.5. Company E

Growth Factors
10.1. Rising Adoption of AI for Drug Discovery
10.2. Increasing Demand for Advanced Materials
10.3. Cost and Time Efficiency in Manufacturing Processes
10.4. Growing Need for Predictive Maintenance Solutions
10.5. Focus on Improving Quality Control and Assurance

Challenges and Barriers
11.1. Data Privacy and Security Concerns
11.2. Integration Complexity with Existing Systems
11.3. Lack of Skilled Workforce
11.4. High Initial Investment Costs
11.5. Ethical and Regulatory Issues

Future Trends
12.1. AI-Driven High-Throughput Experimentation
12.2. Autonomous Laboratories
12.3. AI-Based Materials Discovery
12.4. Personalized Medicine and Treatment
12.5. AI-Embedded Process Optimization




Artificial Intelligence in Chemical and Materials Science Market Segmentation

By Type:

  • Machine Learning Algorithms
  • Natural Language Processing (NLP) Systems
  • Deep Learning Networks
  • Expert Systems
  • Robotics and Automation

By Application:

  • Drug Discovery and Development
  • Materials Design and Optimization
  • Process Automation and Control
  • Predictive Maintenance
  • Quality Control and Assurance

By Industry Vertical:

  • Pharmaceuticals
  • Petrochemicals
  • Specialty Chemicals
  • Materials Manufacturing
  • Biotechnology

By Technology Integration:

  • AI-Integrated Laboratory Equipment
  • AI-Driven Simulation Software
  • AI-Powered Analytical Instruments
  • AI-Enhanced Process Modeling


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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With a collective industry experience of about 70 years of analysts and experts, Future Data Stats encompasses the most infallible research methodology for its market intelligence and industry analysis. Not only does the company dig deep into the innermost levels of the market, but also examines the minutest details for its market estimates and forecasts.

This approach helps build a greater market-specific view of size, shape, and industry trends within each industry segment. Various industry trends and real-time developments are factored into identifying key growth factors and the future course of the market. The research proceeds are the results of high-quality data, expert views & analysis, and valuable independent opinions. The research process is designed to deliver a balanced view of the global markets and allows stakeholders to make informed decisions, to attain their highest growth objectives.

Future Data Stats offers its clients exhaustive research and analysis, based on a wide variety of factual inputs, which largely include interviews with industry participants, reliable statistics, and regional intelligence. The in-house industry experts play an instrumental role in designing analytic tools and models, tailored to the requirements of a particular industry segment. These analytical tools and models distill the data & statistics and enhance the accuracy of our recommendations and advice.

With Future Data Stats calibrated research process and 360° data-evaluation methodology, the clients receive:

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With this strong methodology, Future Data Stats ensures that its research and analysis is most reliable and guarantees sound business planning.

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.

The aforementioned helps to:

  • Validate and improve data quality and strengthen the research proceeds
  • Develop a market understanding and expertise
  • Supply authentic information about the market size, share, growth, and forecasts

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:

  • Company SEC filings, annual reports, company websites, broker & financial reports, and investor  presentations for a competitive scenario and shape of the industry
  • Patent and regulatory databases to understand technical & legal developments
  • Scientific and technical writings for product information and related preemptions
  • 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


Artificial Intelligence in Chemical and Materials Science Market Dynamic Factors


  • Accelerated drug discovery and materials design processes with AI-driven analysis and prediction.
  • Enhanced process automation and control, leading to increased productivity and cost-efficiency.
  • Growing demand for predictive maintenance solutions to optimize equipment performance.
  • Improved quality control and assurance through AI-powered analytical instruments.
  • Rising focus on personalized medicine and treatment using AI in biotechnology.


  • Data privacy and security concerns in handling sensitive chemical and material data.
  • Integration complexity of AI technologies with existing systems and infrastructure.
  • Scarcity of a skilled workforce proficient in both AI and Chemical/Materials Science.
  • High initial investment costs for implementing AI solutions in the industries.
  • Ethical and regulatory challenges related to AI usage in research and development.


  • Expanding application areas of AI in drug discovery, materials engineering, and more.
  • Potential for AI-embedded high-throughput experimentation and autonomous laboratories.
  • Advancements in AI-driven materials discovery, leading to innovative material solutions.
  • Growing market for AI-powered simulation software in chemical and materials modeling.
  • Increased demand for AI-optimized manufacturing processes in the industries.


  • The need to address data quality and reliability issues in AI-based predictions.
  • Ensuring seamless integration and interoperability of AI technologies in diverse settings.
  • Overcoming resistance to AI adoption and cultural shifts within organizations.
  • Ethical considerations surrounding AI applications, particularly in experimental design.
  • Navigating evolving regulatory frameworks related to AI in Chemical and Materials Science.

Frequently Asked Questions

The global Artificial Intelligence in Chemical and Materials Science Market size was valued at USD 6.28 billion in 2022 and is projected to expand at a compound annual growth rate (CAGR) of 22.9% during the forecast period, reaching a value of USD 28.3 billion by 2030.

The accelerated drug discovery and materials design processes, enhanced process automation and control, growing demand for predictive maintenance solutions, improved quality control with AI-powered analytical instruments, and a rising focus on personalized medicine and treatment.

The AI-driven high-throughput experimentation, AI-embedded autonomous laboratories, AI-based materials discovery, personalized medicine applications, and AI-powered simulation software for chemical and materials modeling.

While it is not possible to predict specific regions or countries expected to dominate the Artificial Intelligence in Chemical and Materials Science market, North America, Europe, and Asia Pacific are among the regions where significant advancements and adoption of AI technologies are observed.

The addressing data privacy and security concerns, integration complexity with existing systems, scarcity of skilled workforce, high initial investment costs, and ethical and regulatory considerations. Opportunities lie in expanding application areas, advancements in materials discovery, AI-optimized manufacturing, and market growth in various sectors.
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