Yoneda Labs - Foundation Model for Chemical Reactions

TL;DR

Yoneda Labs is building the foundation model for chemical reactions. When chemists need to make a drug we use AI to define parameters such as temperature, concentration and catalyst. This enables new chemistries and makes synthesis faster and cheaper.

Check out our product here: www.yonedalabs.com/yoneda-optimize

Who we are

We are three University of Cambridge grads combining expertise in Computer Science and Chemistry, with a leader in the field, Prof Scott E Denmark as our advisor. Combined, we have experience working in Bayer, Berkeley AI Research, Jane Street, Optiver and Cisco. Jan ranked top 11 in the International Chemistry Olympiad for 3 years in a row.

Problem: There are more than 10M different compounds created each year. Chemists need to figure out how to make them.

To do so, they often rely on literature data. Unfortunately, this data almost never contains the exact recipe and the ones out there are often misreported and irreproducible in the lab. This means that chemists still need to frequently rely on their intuition, and when that fails, a potentially life-saving drug might never see the light of day.

Solution: Foundation model for chemical reactions

We are generating our own dataset of chemical experiments. We will use it to train a powerful model capable of defining good conditions for any organic reaction.

We’ve performed feasibility studies on smaller datasets and confirmed our beliefs that if we choose the experiments very carefully, we will be able to cover 3 of the most popular reactions in organic chemistry with only 20k data points.

We’ve already created an app that learns from the chemists’ experimental data as they run their reactions in the lab. This allows them to find the optimal conditions in days instead of weeks or months.

Our custom algorithms allow the app to run fully offline from the chemist's PC to account for data sensitivity. Additionally, we designed the app to be simple to use so that every chemist can employ state-of-the-art statistics and machine learning in their lab in just a few clicks. You can check out what it looks like here.

Our Ask

• If your company works with chemical processes, we’d love for you to try our product!
• Any intros to chemistry CROs / pharma companies especially key decision makers responsible for the medicinal and process chemistry departments.

Contact us here: michal@yonedalabs.com

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