Artificial Intelligence (AI) In Chemicals Market Global Report 2026

The artificial intelligence (AI) in chemicals market size has grown exponentially in recent years. It will grow from $1.72 billion in 2025 to $2.29 billion in 2026 at a compound annual growth rate (CAGR) of 33.1%. The growth in the historic period can be attributed to increasing demand for accelerated chemical research, growing requirements for greater chemical process efficiency, expanding volumes of chemical research data, rising need for optimized resource utilization, and increasing demand for precise chemical property analysis.

The artificial intelligence (AI) in chemicals market size is expected to see exponential growth in the next few years. It will grow to $7.08 billion in 2030 at a compound annual growth rate (CAGR) of 32.7%. The growth in the forecast period can be attributed to rising demand for AI-assisted molecule discovery, increasing adoption of predictive process optimization, growing need to accelerate chemical product development, expanding application of AI-based formulation design, and increasing demand for automated chemical decision-making solutions. Major trends in the forecast period include growing adoption of AI-enabled chemical property prediction, rising demand for predictive chemical modeling, increasing use of AI for formulation optimization, growing demand for automated chemical research workflows, and rising emphasis on AI-driven reaction outcome prediction.

The growing adoption of Industry 4.0 technologies is expected to propel the growth of the artificial intelligence (AI) in chemicals market going forward. Industry 4.0 refers to the integration of advanced digital technologies such as artificial intelligence, machine learning, the internet of things (IoT), automation, and data analytics into industrial processes to improve efficiency, productivity, and decision-making. The adoption of Industry 4.0 technologies is increasing due to the growing need for process optimization, as chemical manufacturers are increasingly using advanced digital tools such as artificial intelligence, machine learning, and real-time data analytics to improve production efficiency. Industry 4.0 technologies facilitate the adoption of artificial intelligence (AI) in chemicals by providing real-time data, connected systems, and advanced analytics that enable AI solutions to optimize processes, improve efficiency, and enhance chemical manufacturing operations. For instance, in March 2024, according to Rockwell Automation Inc., a US-based automation company, manufacturers consider AI the leading capability for achieving significant business impact, with 83% anticipating the adoption of generative AI (GenAI) in their operations. Furthermore, 95% of manufacturers are either using or evaluating smart manufacturing technologies, up from 84% in 2023. Therefore, the growing adoption of Industry 4.0 technologies is driving the growth of the artificial intelligence (AI) in chemicals market.

Leading companies operating in the artificial intelligence (AI) in chemicals market are focusing on developing innovative solutions such as generative AI-powered small molecule design platforms to enhance chemical discovery, research and development efficiency, product innovation, and sustainable chemical development. Generative AI-powered small molecule design platforms are artificial intelligence-based computational systems that analyze extensive molecular datasets and generate new chemical structures with targeted properties, enabling faster discovery and optimization of molecules compared with traditional trial-and-error approaches. For example, in October 2024, Evogene Ltd., an Israel-based computational biology company, partnered with Google Cloud, a US-based cloud computing and artificial intelligence technology provider, to develop a generative AI foundation model for novel small molecule design through Evogene’s ChemPass AI technology platform. The foundation model is trained on approximately 40 billion molecular structures and leverages advanced AI capabilities, including machine learning algorithms and high-performance cloud computing infrastructure, to generate and evaluate new molecular candidates with desired characteristics. The technology aims to accelerate the discovery and development of innovative small molecules for applications such as drug development, sustainable crop protection, and other life science-based products by reducing development timelines, lowering costs, and improving discovery success rates.

In April 2026, Perstorp AB, a Sweden-based specialty chemicals company, partnered with Citrine Informatics Inc. to accelerate alkyd emulsion innovation through AI-driven formulation technologies. Through this partnership, Perstorp AB and Citrine Informatics, Inc. aim to utilize AI-based modeling and formulation tools to optimize chemical compositions, shorten experimental cycles, increase development efficiency, improve customer responsiveness, and support the development of next-generation surfactant chemistries for advanced coatings applications. Citrine Informatics Inc. is a US-based company specializing in AI-powered materials informatics platforms that accelerate research and development in chemicals and advanced materials.

Major companies operating in the artificial intelligence (AI) in chemicals market are Microsoft Corporation, Thermo Fisher Scientific Inc, International Business Machines Corporation, NVIDIA Corporation, BASF SE, Agilent Technologies Inc, Bruker Corporation, RELX PLC, Hitachi High Tech Corporation, Dassault Systèmes SE, John Wiley & Sons Inc, Schrödinger Inc, Insilico Medicine Inc, Citrine Informatics Inc, SandboxAQ Inc, Chemify Ltd, Albert Invent SAS, CuspAI Limited, MaterialsZone Ltd, Phaseshift Technologies Inc, AION Labs Ltd, ExoMatter GmbH, Molecule.One Sp z o o, Kebotix Inc, Aionics Inc, ChemAI Inc, AI Materia Inc.

North America was the dominating region in the artificial intelligence (AI) in chemicals market in 2025. Asia-Pacific is expected to be the rapidly growing region in the forecast period. The regions covered in the artificial intelligence (AI) in chemicals market report are Asia-Pacific, South East Asia, Western Europe, Eastern Europe, North America, South America, Middle East, Africa.

The countries covered in the artificial intelligence (AI) in chemicals market report are Australia, Brazil, China, France, Germany, India, Indonesia, Japan, Taiwan, Russia, South Korea, UK, USA, Canada, Italy, Spain.

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