Welcome to Yoneda Optimize!

Why does my reaction not work again? I’ve read all these papers, so why is my chemistry different… What should I try next to finally get somewhere?

We’ve been there too and that’s why engineered Yoneda Optimize!

When is Yoneda Optimize useful?

You are a chemist, running another reaction to prepare the target molecule. Some reaction conditions for similar transformation are on Reaxys and SciFinder, but they don’t really work for your case.

Trying to decide what to do next, you read some papers, think about the reaction mechanism, and come up with some reagents and solvents that you would like to try.

Many possible reagents and solvents to choose from

Trying all combinations would require running hundreds or thousands of experiments, which is not feasible. So how to choose the best experiments to run?

Yoneda Optimize provides statistical and machine learning algorithms to do just that!

Getting Started

After you installed the desktop app, you can get started by optimizing your first reaction!


To understand what’s happening behind the scenes, you can learn more about the design of experiments and Bayesian optimization!

Once you get comfortable with the basics, you can learn how to make the most out of the algorithms by using chemical descriptors and choosing the right number of experiments.