Macs in Chemistry

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The updated APIs of IBM RXN for Chemistry are now available.


IBM RXN is a free web service for predicting chemical reactions.

Whether it’s daily research activity or experiments for fun, IBM RXN can help you predicting chemical reaction outcomes or designing retrosynthesis in just seconds

  • We provide a state-of-the-art trained artificial intelligence (AI) model that can be used in your daily research activities irrespective of the purpose
  • Use the prediction mode to open a project and invite collaborators to collectively plan complex synthesis.
  • Use the challenge mode to test your Organic Chemistry knowledge and prepare for class exams Design your retrosynthesis either using the automatic or the interactive mode. In the interactive mode, IBM RXN for Chemistry – just like an assistant – recommends disconnections and you choose.

For testing the synthesizability of a molecule or for digitizing recipes, use the RXN APIs whenever you need an AI-driven organic chemistry assistant in your code.

The full documentation is here.

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