ACD/Labs and Covestro Partner to Launch AI-Powered Solvent Selection Tool for Sustainable Chemistry

ACD/Labs (Toronto, Canada) and Covestro (Leverkusen, North Rhine-Westphalia, Germany) announced a strategic collaboration to introduce AI-powered solvent recommendation capabilities within the Percepta platform. The announcement was made at the recent PhysChem Forum 2025 (PCF 2025), hosted by F. Hoffmann-La Roche (1).

Part of ACD/Lab’s suite of digital solutions that enable predictive modeling and data-driven decision-making, the Percepta platform comprises an integrated portfolio of software tools and computational technologies that enable the prediction and management of physicochemical, absorption, distribution, metabolism, excretion, and toxicity (ADME/Tox), and other molecular properties. The partnership between ACD/Labs and Covestro will deliver an AI-driven solution designed to help chemists worldwide improve the efficiency and sustainability of experimental design. Through this collaboration, Covestro’s validated AI tool for solvent recommendation will be integrated into the ACD/Labs’ platform, providing scientists with access to solvent selection guidance, according to the press release (1).

Selecting the right solvent is a critical decision in chemical research, directly influencing efficiency, success, and environmental impact. Historically, solvent choice has often depended on a chemist’s personal experience or extensive trial-and-error experimentation. Computational chemistry approaches, such as quantum chemical calculations, can aid the process but are often too time-consuming for routine use. To overcome these limitations, Covestro developed an AI-based approach that predicts optimal solvent choices, enabling researchers to explore a broader range of solvents and help them to design experiments that balance productivity with environmental responsibility.

“This collaboration empowers scientists with recommendations which enhance chemical experiment design, while also helping organizations achieve corporate sustainability aspirations,” said Andrew Anderson, vice president of Innovation and Informatics Strategy at ACD/Labs, in a press release (1). “The collaborative innovation efforts of ACD/Labs and Covestro represent how industry-leading organizations can come together to deliver practical value to the global scientific community.”

The new AI-powered solvent recommendation feature expands the platform’s capabilities, offering tools designed to assist bench chemists in their daily work.

“Digitalization and AI are important aspects of innovation at Covestro,” said Jens Langanke, head of R&D Simulations and Data Science, Covestro Deutschland AG, in the same press release (1). “Partnering with ACD/Labs allows us to share our advances in solvent selection with a global community, helping to push the boundaries of sustainable and efficient research in different industries but with the same passion for molecular transformations.”

The partnership also underscores a broader trend in the chemical and pharmaceutical industries—the growing convergence of AI and experimental R&D. By joining forces in this way to combine ACD/Labs’ expertise in predictive modelling software with the work Covestro has done in AI for solvent selection, the two organizations are demonstrating how advanced informatics solutions can directly support research workflows, improve decision-making, and conserve valuable resources.

The partnership corresponds with ongoing industry efforts to adopt digital technologies and more sustainable practices. As AI and data science continue to reshape scientific discovery, partnerships like this one illustrate how technology and material science providers can join forces to accelerate progress and deliver solutions for global research challenges.

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Reference

(1) ACD/Labs and Covestro Announce Collaboration Delivering AI-Supported Solvent Selection at PhysChem Forum 2025. ACD/Labs Website https://www.acdlabs.com/resource/acd-labs-and-covestro-announce-collaboration-delivering-ai-supported-solvent-selection-at-physchem-forum-2025/ (accessed 2025-10-14).