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Our Mission: We aim to accelerate and automate chemical process development by equipping wet-lab chemists with the power of data-driven optimization and robotic execution of experiments. The Problem: The discovery of novel pharmaceuticals is one of our most important weapons in fighting disease. However, the drug development pipeline is often held up for many months during the design of chemical processes to manufacture these drugs at scale, delaying FDA trials and lengthening the time until drug launch. Designing chemical processes involves the identification of suitable parameters such as catalyst/temperature/solvent. Currently process development is often done via tedious trial-and-error experimentation (slow) or exhaustive screening (expensive and wasteful). Our Approach: In our research, we have developed algorithms for chemical process optimization, which leverage transfer learning and Bayesian optimization. We validated the algorithms in the wet lab, showing an up to 95% reduction in required experiments and cost compared to exhaustive screening. We have made our approaches accessible to chemists through our user-friendly no-code software platform and to automated laboratory equipment with our API.

Yoneda Labs provides software to help chemists optimise reactions. When chemists make a drug or a material, we help them figure out the best reaction parameters such as temperature, concentration and catalyst. When Jan was working at chemical labs, he experienced the struggle of spending weeks guessing reaction conditions. We then started experimenting with ML to speed up the process. Now, as a team of three friends from the University of Cambridge, we’ve spent the last month combining our domain expertise in Computer Science, Machine Learning and Chemistry to develop state of the art models for reaction optimisation. Although ML is becoming well established in other fields, current chemical models generalise poorly and require lots of programming experience. We make our models easily accessible to chemists in the lab. Finding the right conditions quickly allows pharmaceutical companies to test more drugs, and finding better optima makes manufacturing process cheaper and more environmentally friendly.