Artificial Intelligence in Chemistry
How Digital Systems Are Transforming Formulation and Active Ingredient Development
The use of artificial intelligence (AI) has long since made its way into the chemical industry. From (active ingredient) synthesis and the creation of new formulations to materials research, AI helps shorten development times, optimize resource use, and accelerate time-to-market for innovative products. Especially in sectors such as cosmetics, adhesives, and battery technology, intelligent systems offer new opportunities to automate formulation processes and significantly reduce experimental work in the lab.
One outstanding example of this development is the California-based company Albert Invent, which has rapidly emerged as a pioneer in AI-powered chemical platforms.
Albert Invent: Chemie-Innovation aus Kalifornien
Albert Invent was founded in 2022 by four experts – including two chemists with a background at Henkel, an experienced software developer, and a specialist in product design and chemical innovation platforms. The company secured major investors at an early stage. Just three years later, JPMorgan Chase valued Albert Invent at 270 million USD, more than twice its previous year’s valuation. By early 2025, the company had already grown to 120 employees, with plans to exceed 200 by the end of the year.
At the heart of its technological development is the “Albert Breakthrough” platform – a cloud-based system trained on over 15 million molecular structures, specifically designed to meet the needs of chemical research and development.
Albert Breakthrough: Rapid Formulation Development
The Albert Breakthrough platform integrates multiple components into a seamless digital system. These include an electronic lab notebook (ELN), a laboratory information management system (LIMS), and automated generation of safety data sheets (SDS) compliant with global regulations such as GHS and REACH, with localization options for different countries.
A key strength of the platform is its structure-based search, allowing molecules, mixtures, and similar compounds to be found quickly and precisely. The AI analyzes existing formulations and experimental data, enabling accurate property prediction without the need for conventional lab testing.
The technology’s potential is particularly evident in the cosmetics sector. Chemists can develop new formulations for skin and hair care products within minutes. The AI predicts essential properties such as texture, viscosity, stability, toxicity, or environmental behavior—drastically reducing development cycles from weeks or even months.eltverhalten. Dadurch lassen sich Entwicklungszeiten von Wochen oder Monaten drastisch reduzieren.
Use Cases
Numerous global companies already rely on Albert Breakthrough. Henkel, for example, uses the platform to support collaboration among more than 2,800 scientists across 36 countries. Applied Molecules reduced development times for new formulations from several months to just two days with Albert’s help.
Nouryon, a global leader in specialty chemicals, partnered with Albert Invent to develop the BeautyCreations platform. This AI-powered tool shortens formulation cycles for cosmetic products from four to six weeks to just a few minutes. It was unveiled in April 2025 at the in-cosmetics trade show in Amsterdam.
Predictive Modelling and Inverse Design: New Approaches to Formulation
One of the most powerful features of Albert Breakthrough is its predictive modelling capability. By combining internal company data with the platform’s AI, users can forecast specific properties such as toxicity, stability, viscosity, flash point, and environmental behavior. It also enables users to calculate structure-activity relationships and simulate product performance in specific applications.
Another forward-looking tool is inverse design. Users can define formulation goals using natural language—for example: “Find a moisturizing facial cream with a mattifying effect.” The AI searches its database of validated formulations and proposes optimized recipes. The system continuously learns from new lab data and uses AI to visualize key molecular characteristics, making research more agile and data-driven.
Looking Ahead: Where AI in Chemistry Is Headed
The possibilities for AI in chemistry are far from exhausted. Potential developments in the coming years include:
- Closed-loop synthesis planning integrated with robotic lab systems
- Quantitative structure-activity relationships (QSAR) on 3D molecular levels for pharmaceutical applications
- Automated compliance checks and label generation
- AI-optimized electrolytes for batteries and energy storage
- Coating formulations optimized for VOC reduction, performance, and sustainability in just days
At the Battery Show Europe in Stuttgart, Albert Invent hinted at its vision for AI-supported electrolyte development for high-performance batteries.
Another promising example: at the Adhesive and Sealant Council (ASC) Annual Meeting 2025, Albert and Henkel jointly presented how their system analyzes epoxy adhesive formulations using patent and literature data. The model predicted glass transition temperatures (Tg) with 85 percent accuracy on just the second attempt.
Conclusion: AI Is Transforming the Chemical Industry
Albert Invent clearly demonstrates the enormous potential of artificial intelligence in chemistry. Whether in cosmetics, battery technology, active ingredient development, or adhesives—AI-powered platforms like Albert Breakthrough are speeding up innovation cycles and enabling more efficient, data-driven research and development. Any company that wants to remain competitive in the coming years will need to integrate intelligent systems into their R&D processes.
Dr. Ronald Hinz, Market Intelligence Senior Experte
Sources:
- Albert Invent
- JPMorgan Chase
- Business Insider
- Wall Street Journal
- TechCrunch
- Nouryon
- Misc.
