A scientist in a lab coat focuses on experiments with vibrant liquids in test tubes

The transformative power of AI in chemical research and development

AI is transforming the chemicals sector, prompting a new evaluation of established practices and future possibilities.


In brief
  • Embracing AI is not optional; it’s essential for chemical companies to innovate and thrive in an increasingly competitive landscape.
  • The future of chemical R&D hinges on data-driven insights, transforming traditional practices into agile and sustainable processes that meet market demands.
  • Prioritizing collaboration and strategic partnerships will raise the bar in driving innovation and sustainability in chemical development.

The global chemicals industry, which includes advanced materials, valued at approximately $5.7 trillion in 2024, stands at a pivotal moment of transformation.¹ Despite over $100 billion in R&D spending in 2024, new chemical products are often incremental improvements that are quickly commoditized.² Artificial intelligence (AI) is emerging as a powerful enabler of change, offering the potential to accelerate product development, discover novel molecules, optimize formulations and improve cross-functional collaboration. Early adopters are already seeing significant gains in speed, cost savings and market responsiveness. Here, we explore the strategic imperative for AI in chemical R&D, outlining the unique challenges and opportunities in the sector and presenting case studies of companies leading the way.

Industry context and the imperative for change

 

Global chemical production grew by 3.9% in 2024, with projections of 3.0% growth in 2025. However, chemical company stocks have underperformed broader markets, growing less than 2% annually compared to 24% for global indices since 2022.³ Capital expenditures are being postponed amid economic uncertainty, overcapacity and weak demand (particularly from China, which accounts for half of global chemical production).³ High energy prices are cutting into profits and even forcing plant closures, especially in the European Union, where utility costs remain extremely high compared to the US and China.⁴ In this environment, some chemical companies are delaying investment in the future to try to preserve flexibility and stability today.

 

However, investment in R&D for both new molecules and new formulations has long been a primary driver of sustainable success in the chemicals industry. Not only are chemical suppliers expected to constantly innovate to enable new technologies and applications, but they also face ever-changing regulatory dynamics, customer demands and consumer preferences. Without robust R&D capabilities, companies risk falling behind technologically, losing market share and missing out on emerging trends and opportunities.

 

R&D spending in the chemicals industry has remained steady at around 2.5% of revenue over the past 15 years. Yet, inefficiencies persist: more than 60% of product launches fail, and time-to-market remains lengthy. Regulatory bodies are tightening restrictions on hazardous substances, while customers increasingly demand greener, safer products and greater transparency about environmental impacts, including sourcing, decomposition byproducts and other potential hazards. These pressures underscore the need for innovation that is not only faster but also smarter and more sustainable. Advances in AI and machine learning algorithms have produced platforms and tools that can de-risk, accelerate and expand R&D efforts, even in the complicated and difficult-to-model chemicals space.

The strategic role and impact of AI

Across industries and applications, AI adoption is accelerating. In pharmaceuticals, for example, AI has reduced drug discovery timelines by up to 50%, improved clinical trial design and enabled dozens of new therapies.⁵ Pharmaceutical R&D is in many ways well-suited to AI tools. Many pharmaceutical products have few active ingredients (or only one) with specific biomolecular target(s). AI models have been successfully deployed (alongside high-throughput testing) to dramatically accelerate drug discovery and commercialization. The chemicals industry faces much greater complexity, as products often require balancing dozens of ingredients and performance variables with intricate regulatory and sustainability requirements.

 

Even so, AI is proving to be a competitive differentiator that transforms the economics of R&D. The traditional R&D cycle in chemicals is often slow and costly, hampered by manual experimentation and fragmented data, but AI is transforming this paradigm. Platforms such as Citrine Informatics enable researchers to screen hundreds of millions of candidate materials and formulations, narrowing down to those that meet both technical and business criteria and achieving up to 80% reductions in R&D time.⁶ The predictive capabilities in their AI models mean that fewer experiments are needed to successfully meet chemical and material property requirements and performance targets. Researchers can screen broadly but select fewer candidates for physical testing with a higher likelihood of success, reducing costly and time-consuming experimentation. In one notable case, a customer improved EBITDA by 50 basis points in less than two months by reformulating products to optimize cost and performance.⁶ New product development and qualification often require substantial testing in multiple settings, including both laboratories and pilot plants. In addition to accelerating experimental design and execution in the laboratory and pilot plant, AI is being used to facilitate supporting processes and systems. Chemical companies are combining data visualization, feasibility review, sample request and approval, and other tasks into unified applications and streamlined workflows, reducing error and saving significant time on non-value-added administrative tasks.

 

Beyond efficiency, AI is revolutionizing how organizations manage and share knowledge. AI-powered research assistants like CHEMY LANE enable users to ask questions in natural language, receive sourced and documented answers, and automatically extract actionable data from scientific literature. The Citrine Platform’s Catalyst digital assistant leverages large language models to streamline research processes, summarize disparate data and facilitate “scientist-to-scientist” interactions. AI can quickly consolidate and interpret data from multiple sources, transforming fragmented information into actionable insights. In large, siloed R&D organizations, this capability improves product development cycles, reduces time and cost and enhances the quality of offerings. AI-driven automation in regulatory submission and content writing has reduced report generation time from weeks to minutes, streamlining compliance and enabling faster product launches. Furthermore, AI-driven portfolio management tools provide real-time risk modeling and scenario analysis, enabling executives to make better investment decisions and improve return on research capital (RORC). These capabilities translate into outsized gross profit, improved return on invested capital (ROIC) and sustainable competitive advantage.

 

One noteworthy development is the emerging use of neurosymbolic AI (NSAI), a hybrid architecture that merges the statistical learning capabilities of large language models (LLMs) with the structured logic of symbolic reasoning. Critically, this addresses one of the shortcomings of LLMs, which is their lack of understanding of causality. The potential of NSAI models is rooted in their inclusion of clear causal relationships, making them more than just black-box text prediction algorithms.⁷ Because they incorporate logic and processes, NSAI models can be configured to reflect the actual decision frameworks of an enterprise, enabling insights that are not only grounded in causal intelligence but also explainable, repeatable and aligned to business strategy. EY Growth Platforms (EYGP) is helping companies deploy NSAI models to extend beyond investments in generative AI to unlock deeper insights. The NSAI platform resides within the client’s data environment and unifies enterprise data with over 110 million external data sources to build proprietary workflows. EYGP is working with companies in life sciences, consumer products and specialty chemicals, among other sectors, to tailor R&D priorities based on real-time consumer feedback and scientific literature, accelerating the alignment between market needs and scientific innovation.⁸

 

Finally, sustainability is also being redefined by AI. In a recent survey, 70% of chemical manufacturers cited AI as critical to their sustainability strategies.⁹ The value of sustainability-related company transactions in chemicals reached $14.7 billion in 2023. Companies such as PPG have set ambitious goals to reach 50% of sales from sustainably advantaged products by 2030, up from 39% currently.¹⁰
 

Case studies and implementation considerations

 

Case studies: AI in action

Key considerations for successful AI implementation

Implementing AI in chemicals R&D is not simply a matter of deploying new tools. It requires thoughtful planning, organizational alignment and strategic investment. Based on industry experience and case study evidence, several critical factors consistently distinguish successful AI initiatives from those that stall or underperform:

Key takeaways

1. Strategic transformation

AI is a foundational capability for the future of chemicals R&D, not just a technological upgrade. Companies must invest in specialized AI platforms and robust data infrastructure, treating AI as a strategic imperative to remain competitive. Success requires leadership buy-in, proactive change management and a commitment to continuous learning and digital fluency.

2. Accelerating innovation and sustainability

AI enables chemical organizations to dramatically reduce R&D cycle times, lower costs and streamline regulatory compliance. Early adopters have achieved up to 80% reductions in R&D time and millions in annual savings. AI also empowers teams to design greener products, optimize supply chains and align innovation with ambitious ESG and sustainability goals.

3. Collaboration, partnerships and measurable impact

The full value of AI is realized through cross-functional collaboration and strategic partnerships with startups, academia and technology providers. Companies should foster a culture of knowledge-sharing and digital dexterity, integrate external solutions into internal workflows, and establish clear KPIs to monitor AI’s impact on performance, cost savings and sustainability outcomes.

AI is not merely a tool; it is a strategic imperative. Companies that treat it as a “nice-to-have” risk falling behind more agile, AI-native competitors. The winners will be those who invest in specialized AI platforms tailored to chemical complexity, build strong data foundations and governance, foster cross-functional collaboration and digital fluency and embed AI into the core of their R&D strategy.

This article is co-authored by:

  • Alex Pitsinos, Managing Director, Technology Consulting, Ernst & Young LLP
  • Dr. McKay Rytting, Director, Strategy and Execution, EY-Parthenon, Ernst & Young LLP
  • Clare Detrick-Yee, Consultant, Strategy and Execution, EY-Parthenon, Ernst & Young LLP
  • Lauren Kim, Consultant, Strategy and Execution, EY-Parthenon, Ernst & Young LLP
  • Phil Riemer, Director, Strategy and Execution, EY-Parthenon, Ernst & Young LLP

Summary 

AI is redefining the boundaries of what’s possible in chemicals research and development. By delivering accelerating innovation and democratizing expertise and delivering measurable economic value, AI empowers chemical companies to compete and thrive in a dynamic, innovation-driven marketplace. The case studies referenced here demonstrate that the future of R&D is not just faster and more cost-effective. It’s smarter, more collaborative and more sustainable. Executives who embrace AI will be the architects of tomorrow’s chemicals industry.

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