Autonomous synthesis robot uses AI to speed up chemical discovery
Chemists of the University of Amsterdam (UvA) have developed an autonomous chemical synthesis robot with an integrated AI-driven machine learning unit. Dubbed "RoboChem," the benchtop device can outperform a human chemist ...
As the first of its kind, it could significantly accelerate chemical discovery of molecules for pharmaceutical and many other applications. RoboChem's first results are published in the journal Science.
RoboChem was developed by the group of Prof. Timothy Noël at the UvA's Van 't Hoff Institute for Molecular Sciences. Their paper shows that RoboChem is a precise and reliable chemist that can perform a variety of reactions while producing minimal amounts of waste.
Working autonomously around the clock, the system delivers results quickly and tirelessly. Noël said, "In a week, we can optimize the synthesis of about ten to twenty molecules. This would take a Ph.D. student several months." The robot not only yields the best reaction conditions, but also provides the settings for scale-up.
"This means we can produce quantities that are directly relevant for suppliers to the pharmaceutical industry, for example."
RoboChem's 'brain'
The expertise of the Noël group is in "flow chemistry," a novel way of performing chemistry where a system of small, flexible tubes replaces beakers, flasks and other traditional chemistry tools.
In RoboChem, a robotic needle carefully collects starting materials and mixes these together in small volumes of just over half a milliliter. These then flow through the tubing system towards the reactor. There, the light from powerful LEDs triggers the molecular conversion by activating a photocatalyst included in the reaction mixture.
RoboChem is an autonomous benchtop platform for fast, accurate and around-the-clock chemical synthesis. Credit: University of Amsterdam
A robotic needle sampler selects precise quantities of various reagents and skilfully mixes these to create a reaction solution. Credit: University of Amsterdam
At the heart of RoboChem is a powerful photochemical reactor featuring an array of very powerful LEDs that illuminate the reaction solution. Here the molecules are transformed according to the instructions from the AI controller. Credit: University of Amsterdam
RoboChem is based on the principles of Flow Chemistry. Reactions are carried out in volumes of just 650 microliter, flowing through small tubes. Credit: University of Amsterdam
RoboChem applies a machine-learning algorithm that processes the data obtained from the system. It decides which reactions to execute, always aiming for the optimal outcome. Human intervention only takes place at the beginning, setting up the stock solutions and starting the RoboChem session. Credit: University of Amsterdam