IBM Research GmBH  

  • Booth: 530

IBM Research is thrilled to share IBM RXN for Chemistry - a new FREE AI web-based app for predicting chemical reactions.

Using the popular ketcher editor, chemists can draw reactants and run them on our AI model to predict products - it's that easy! We used more than 2.0 million reactions to train IBM RXN for Chemistry and have integrated a feedback feature into the system that let's us know the accuracy of each prediction. So, although the AI model is already 81% accurate, the more you use it, the better it gets!

Predicted reactions are revealed with a confidence score and attention weights, making the model more interpretable. The app is also designed for project collaboration.  Create projects, start a library of preferred molecules, predict reactions, save outcomes and share projects and results with others.

Visit our IBM Research AI booth at the American Chemistry Society exhibition hall and test your organic chemistry skills against our AI model. Anyone who participates in the AI Challenge will win an IBM Research AI t-shirt. We hope to see you there!

We would also love to hear from you - post your questions and comments on Twitter at: #rxnforchemistry



Found in Translation: Predicting Outcomes of Complex Organic Chemistry Reactions


  • IBM RXN for Chemistry
    The first, FREE AI web service for predicting chemical reactions....

  • IBM RXN for Chemistry is a state-of-the-art trained artificial intelligence (AI) model that can be used in your daily research activities irrespective of the purpose. With this fully interactive platform, chemists can draw molecules with Ketcher (a web-based chemical structure editor), build up libraries of chemical reactions, create, share and collaborate on projects.
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