ACD/Labs and Covestro launch AI-powered solvent selection tool for pharmaceutical research
Advanced Chemistry Development (ACD/Labs) and materials science company Covestro have unveiled a collaborative project integrating artificial intelligence into solvent selection processes for pharmaceutical and chemical research. The partnership, announced at the PhysChem Forum 2025 in Basel, Switzerland, combines computational chemistry expertise with software development to address long-standing inefficiencies in laboratory workflows.
The new tool embeds Covestro’s validated AI algorithms into ACD/Labs’ Percepta platform, providing chemists with data-driven recommendations for solvent selection. Traditionally, researchers have relied on limited solvent familiarity, time-intensive quantum chemical calculations, or experimental trial-and-error approaches. The AI-supported system aims to broaden the range of solvents considered whilst reducing the time required for experimental design.
Technical integration addresses workflow bottlenecks
Solvent selection represents a critical decision point in chemical synthesis, affecting reaction efficiency, product yield, and environmental sustainability. The collaboration leverages Covestro’s work in machine learning models for molecular interactions, integrated within ACD/Labs’ predictive modelling infrastructure. By automating aspects of solvent screening, the system provides rapid assessments based on physicochemical properties and experimental parameters.
“This collaboration empowers scientists with recommendations which enhance chemical experiment design, whilst also helping organisations achieve corporate sustainability aspirations,” said Andrew Anderson, Vice President of Innovation and Informatics Strategy at ACD/Labs. “The collaborative innovation efforts of ACD/Labs and Covestro represent how industry-leading organisations can come together to deliver practical value to the global scientific community.”
Implications for laboratory efficiency and sustainability
The integration reflects broader trends in pharmaceutical research towards computational tools that support experimental decision-making. For clinical laboratory scientists and medicinal chemists, the tool offers potential improvements in workflow efficiency and resource conservation. The system’s focus on sustainability aligns with industry initiatives to reduce chemical waste and optimise solvent usage in drug development processes.
Jens Langanke, Head of R&D Simulations & Data Science at Covestro Deutschland AG, noted: “Digitalisation and AI are important aspects of innovation at Covestro. 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 Solvent Recommender tool is now available within the Percepta platform, marking ACD/Labs’ continued expansion of AI-enabled capabilities in its scientific software suite.
For more information, visit: https://www.acdlabs.com/PhysChemSuite
