Yoneda Labs, a leader in computational tools for reaction optimization, has successfully collaborated with Symeres, a leading transatlantic, small molecule contract research and manufacturing organization. The aim was to optimize transition metal catalyzed cross-coupling reactions to improve reaction yield and efficiency utilizing Yoneda Labs’ cutting-edge software.

The collaboration focused on streamlining the reaction optimization process with improved reaction yields of ~30% to >90%. By leveraging advanced predictive modeling and data-driven insights, Symeres identified four diverse reaction conditions with in situ yields of over 90%, significantly accelerating the development process compared to traditional one factor at a time (OFAT) or Design of Experiments (DoE) approaches.

“By integrating computational intelligence into experimental workflows, we’re helping chemists optimize their processes in days instead of months, significantly increasing their capacity to take on new projects.” Said Dr Olga Sokolova, SME in Chemocatalysis and DoE at Symeres. She added “The technology allows us to rapidly pinpoint high-yielding conditions making it an extremely helpful tool for process research by avoiding lengthy iterative screenings”

Michał Mgeładze-Arciuch, CEO at Yoneda Labs added “This case study demonstrates how Yoneda’s software empowers chemists to find the best reaction conditions faster and with greater confidence. I’m delighted that our software allows our customers to efficiently navigate complex reaction landscapes, saving valuable time and resources in the process of drug discovery and development.”

“This case study reflects Symeres’ ongoing commitment to embracing innovative technologies to accelerate and enhance chemical development.” said Andre de Vries, Director of Innovation at Symeres.

“We’re not just optimizing reactions; we’re redefining what efficiency and innovation look like for our clients. We’re excited to continue building on this success in the future as this collaboration with Yoneda Labs has shown how AI can help drive smarter, faster discoveries across the industry.”