Artificial Intelligence (AI) in Chemicals Market (By Type: Hardware, Software, Services; By Application: Molecule Design, Retrosynthesis, Reaction Outcome Prediction, Reaction Conditions Prediction, Chemical Reaction Optimization) - Global Industry Analysis, Size, Share, Growth, Trends, Regional Outlook, and Forecast 2023-2032

The global artificial intelligence (ai) in chemicals market is surging with an overall revenue growth expectation of hundreds of millions of dollars from 2023 to 2032.

Artificial Intelligence (AI) in Chemicals Market Size 2023 To 2032

Key Points:

  • North America is predicted to have the biggest share between 2023 and 2032.
  • The software type segment contributed the maximum share in 2022.
  • The hardware type segment is projected to grow remarkably between 2023 and 2032.
  • The molecule design application segment is forecasted to grow at the highest CAGR between 2023 and 2032. 
  • The retrosynthesis application segment is predicted to expand fastest from 2023 to 2032.

Market Overview:

The surging demand for consistent and effective manufacturing processes, the adoption of innovative digital techniques by chemical industries, the rising demand for better batch production scheduling, and increased awareness about AI solutions are the key factors driving the expansion of AI in the chemical market. 

Furthermore, rising government R&D investments in manufacturing process optimization are expected to drive market deployment over the projected period. The increasing adoption of advanced technologies like IoT, 3D printing, and VR is expected to increase R&D activities, fueling the demand for AI across industries.

Report Scope of the Artificial Intelligence (AI) in the Chemicals Market

Report Coverage Details
Largest Market North America
Second Largest Market Europe
Base Year 2022
Forecast Period 2023 to 2032
Segments Covered By Type and By Application
Regions Covered North America, Europe, Asia-Pacific, Latin America and Middle East & Africa

Market Dynamics:


Design and development of new products

AI is used to accelerate innovation between the process and product development stages. Utilizing machine learning as well as advanced analytics algorithms with historical data, chemical industries are able to accurately formulate costs and performance. Many chemical sectors use customized mathematical algorithms and models to determine the optimal chemical combination and forecast the catalyst aging process and complex dye solubility.

For instance, robots are used by companies such as Novartis to transfer chemical compounds in multi-well plates. They assist the company in running laboratory tests on products and substances 24 hours a day, seven days a week, which accelerates the process of drug discovery and development.

Accurate forecasting

The chemical industry must forecast demand in order to regulate its supply chain accurately. As a result, the chemical business must implement AI algorithms. Deep learning algorithms are capable of identifying the variables that influence product demand. Several chemical industries are using this technology to enhance forecasting accuracy.

For instance, organizations such as Blue Yonder support AI and ML methods to improve forecasting as well as replenishment while also adjusting pricing.

Advancement in the R&D services

Research and development are among the most vital processes for any company to succeed in order to achieve more efficient and faster results. With the help of computerized combinations and permutations, machine learning strategies perform any research and development at a higher and faster speed. Machine learning solutions can recognize the appropriate molecules and generate correct formulas, speeding up the company's research process.

For instance, Pfizer uses data science, AI, and real-world data to develop novel and more accurate treatment options. The company uses artificial intelligence to redefine and accelerate the completion of chemical studies.


High cost of new technologies

An important factor to consider when purchasing AI technologies is the cost. Companies that lack in-house expertise or need to be made aware of AI are frequently forced to outsource, which adds cost and maintenance issues. Smart technologies are costly due to their complexity and may incur additional expenses for repair and maintenance. Additionally, there may be costs associated with the computation required to train data models, etc.

Software programs must be updated on a regular basis in order to adapt to evolving business environments, and in the event of a breakdown, restoring is frequently time-consuming and expensive.


Application of generative modeling

Generative modeling could be a game changer for chemists looking for novel molecules with therapeutic benefits or alternatives to widely used substances that have an adverse effect on the environment. Machine learning techniques can help scientists efficiently screen a variety of chemical reactions or combinations and their results. 

With such screening/generative capabilities, ML algorithms can also help us get closer to a greener future by allowing chemical firms to manufacture substances that have properties similar to petroleum products or plastic but break down more easily and without waste or pollution.

As per Nature Communications, Artificial intelligence services assist organizations to be approximately 63% more environmentally friendly.

Impact of COVID-19:

Due to its prevalent application by numerous companies for the detection and screening of present medications used in the therapy of COVID-19, the COVID-19 outbreak had a positive effect on the growth of AI in the chemical industry. Throughout the pandemic, markets all over the globe relied on Artificial intelligence-based discovery instead of conventional vaccine recognition procedures, which take months to develop and are equally costly, contributing to market expansion. 

Industries are making a variety of strategic decisions in order to recover from COVID-19. Multiple R&D activities are being carried out by the players in order to enhance the technologies. AI can detect active chemicals that are used to prevent HIV,SARS-CoV, SARS-influenza virus, CoV-2, and other diseases.

Segments Insight

Type Insights


Due to the ongoing software transformation that serves the needs of the chemical sector, the software sector generated the most share in 2022 and is anticipated to continue to dominate throughout the projected period. The growing usage of the software as a result of the increased demand for better storing, managing, evaluating, and sharing data in drug research and development has resulted in this segment's dominance. 

Furthermore, the software generates various sources of revenue for market players over time and has therefore become the highest sales factor for AI in the global chemical market. For instance, MATLAB is among the best software products for plotting data and performing numerical calculations in chemical engineering.


The hardware sector is expected to grow significantly during the forecast period due to the increasing use of artificial intelligence algorithms for complex mechanisms and the rising demands for specialized hardware components such as AI memory and processors. Artificial intelligence processors are neuromorphic processing parts that are more effective and quicker than traditional processors. 

The hardware of the intelligent lab for efficient chemical processes, such as the reactor, separator, and advanced detection, is referred to as the physical system. In order to enable in-/on-line monitoring, real-time information must be integrated into housing and casing using additive manufacturing. 

AI and machine learning are generating and analyzing an increasing number of mission records in real time, enabling autonomous cognitive digital wars and propelling the hardware segment forward.

Application Insights

Molecule Design

The molecule design sector is anticipated to grow at the highest CAGR between 2023 to 2032. In recent years, machine learning has achieved success in drug forecasting and material discovery. These machine learning-based techniques aid in the discovery of molecules, properties, and relationships, as well as in the prediction of reaction results. It also helps to reduce the size of the dataset by reducing errors. 

Machine learning is used to predict the characteristics of a molecule without prior knowledge of the physics and chemistry involved. Artificial intelligence can also help in the organic photovoltaic (OPV) field by forecasting the frontier molecules using a trained neural network. 


The retrosynthesis section is projected to expand at the fastest rate from 2023 to 2032. Retrosynthesis is a method that converts a target molecule into simple precursors. This process is repeated until the initial molecule is produced. However, if the compound is very complex and includes several functional groups, it is extremely difficult to synthesize. Herculean B, for example, has 32 stereo centers and requires 47 reactions to synthesize. This is an extremely difficult and challenging retrosynthesis problem. 

However, with the help of AI-based algorithms, the complexity of this molecule can be overcome. This algorithm's goal is to provide a reaction route to the molecules so that they can convert them into simple precursors. The artificial intelligence employed the Monte Carlo tree in conjunction with three neural networks to aid in the selection of the reaction for interpretation. This neural network has been developed in such a way that it can choose a reaction center.

Regional Insights

North America is expected to have the largest share of the above industry in the coming years due to increased awareness of digitization approaches and increased R&D funding by chemical firms for overall production process advancements. For example, in 2019, US President launched the American AI Project as the country's strategy for boosting artificial intelligence leadership. As part of this approach, government agencies have helped to build the trust of the public in AI-based processes by providing guidance for their advancement and actual application across various sectors.

Artificial Intelligence (AI) in the Chemical Market Share, By Region, 2022 (%)

Europe is predicted to expand at the fastest pace during the expected period, owing to increased government funding and plans to establish chemical industries, favorable regulatory environments, and emerging new chemical industries. Europe is the world's second-largest producer of chemicals. 

Recent Developments:

  • Bayer & Google Cloud revealed a collaboration in January 2023 to boost Bayer's quantum chemistry analysis to initiate drug discovery through machine learning.
  • In 2023, Aramco & Hong Kong AI organization Insilico collaborates on the development of environmentally friendly fuels and materials.
  • In 2023, a new study will use AlphaFold and AI to boost the development of a new drug for liver cancer.
  • Chemical.AI announces a collaboration with NovAliX, a global Drug Development CRO firm, on January 16, 2023.
  • In 2022, researchers at IIIT-Delhi developed an AI-based method for identifying carcinogenic compounds in chemical structures.
  • In 2022, Sanofi formed a collaboration with Exscientia, contributing $100 million to help generate 15 novel small molecules in cancer treatment and immunology.

Key Market Players

  • Manuchar N.V
  • IMCD N.V. 
  • Univar Solutions Inc.
  • Brenntag S.E.
  • Sojitz Corporation
  • ICC Industries Inc.
  • Azelis Group NV
  • Tricon Energy Inc.
  • Biesterfeld AG
  • Omya AG
  • Sinochem Corporation
  • Petrochem Middle East FZE

Segments Covered in the Report

(Note*: We offer report based on sub segments as well. Kindly, let us know if you are interested)

By Type

  • Hardware
  • Software
  • Services

By Application

  • Molecule Design
  • Retrosynthesis
  • Reaction Outcome Prediction
  • Reaction Conditions Prediction
  • Chemical Reaction Optimization

By Geography

  • North America
  • Europe
  • Asia-Pacific
  • Latin America
  • The Middle East and Africa

Frequently Asked Questions

Who are the prominent players operating in the artificial intelligence (AI) in the chemicals market?
The major players operating in the artificial intelligence (AI) in the chemical market are Manuchar N.V, IMCD N.V., Univar Solutions Inc., Brenntag S.E., Sojitz Corporation, ICC Industries Inc., Azelis Group NV, Tricon Energy Inc., Biesterfeld AG, Omya AG, HELM AG, Sinochem Corporation, Petrochem Middle East FZE and Others.
Which are the driving factors of the artificial intelligence (AI) in the chemicals market?
The driving factors of the artificial intelligence (AI) in the chemicals market are the design and development of new products, accurate forecasting and advancement in the R&D services.
Which region will lead the global artificial intelligence (AI) in the chemicals market?
North America region will lead the global artificial intelligence (AI) in the chemicals market during the forecast period 2023 to 2032.
  • Report Code:2621
  • Category:ICT
  • No. of Pages:150+
  • Format:PDF/PPT/Excel
  • Published:February 2023


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